AI40559
1820666-21-4 | 1-(3-Bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AI40559
ChemicalName
1-(3-Bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CasNumber
1820666-21-4
MolecularFormula
C12H13BrN2O2
MolecularWeight
297.1478
MdlNumber
MFCD27936849
Smiles
CNC(=O)C1CC(=O)N(C1)c1cccc(c1)Br
Complexity
322
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AI40559
ChemicalName: 1-(3-Bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CasNumber: 1820666-21-4
MolecularFormula: C12H13BrN2O2
MolecularWeight: 297.1478
MdlNumber: MFCD27936849
Smiles: CNC(=O)C1CC(=O)N(C1)c1cccc(c1)Br
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AI40559
ChemicalName:
1-(3-Bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CasNumber:
1820666-21-4
MolecularFormula:
C12H13BrN2O2
MolecularWeight:
297.1478
MdlNumber:
MFCD27936849
Smiles:
CNC(=O)C1CC(=O)N(C1)c1cccc(c1)Br
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCn1cc(c(n1)C(F)(F)F)C=O
Complexity: 207
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCn1cc(c(n1)C(F)(F)F)C=O
Complexity:
207
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc(c1N)c1c[nH]nc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc(c1N)c1c[nH]nc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI40566
ChemicalName: N-Acetyl 4-piperidinoaniline HCl
CasNumber: 1820666-52-1
MolecularFormula: C13H19ClN2O
MolecularWeight: 254.7558
MdlNumber: MFCD26523322
Smiles: CC(=O)Nc1ccc(cc1)N1CCCCC1.Cl
Complexity: 228
Covalently-bondedUnitCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AI40566
ChemicalName:
N-Acetyl 4-piperidinoaniline HCl
CasNumber:
1820666-52-1
MolecularFormula:
C13H19ClN2O
MolecularWeight:
254.7558
MdlNumber:
MFCD26523322
Smiles:
CC(=O)Nc1ccc(cc1)N1CCCCC1.Cl
Complexity:
228
Covalently-bondedUnitCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
__