AA83117
161258-41-9 | N-Benzyl 3-bromobenzamide
Manufacturer: A2B Chem
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CatalogNumber
AA83117
ChemicalName
N-Benzyl 3-bromobenzamide
CasNumber
161258-41-9
MolecularFormula
C14H12BrNO
MolecularWeight
290.1552
MdlNumber
MFCD00554085
Smiles
Brc1cccc(c1)C(=O)NCc1ccccc1
Complexity
251
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AA83117
ChemicalName: N-Benzyl 3-bromobenzamide
CasNumber: 161258-41-9
MolecularFormula: C14H12BrNO
MolecularWeight: 290.1552
MdlNumber: MFCD00554085
Smiles: Brc1cccc(c1)C(=O)NCc1ccccc1
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AA83117
ChemicalName:
N-Benzyl 3-bromobenzamide
CasNumber:
161258-41-9
MolecularFormula:
C14H12BrNO
MolecularWeight:
290.1552
MdlNumber:
MFCD00554085
Smiles:
Brc1cccc(c1)C(=O)NCc1ccccc1
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9
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Smiles: N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccccc1)C)C(C)C)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccccc1)C)C(C)C)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C1c2ccccc2C(=O)c2c1c(C)c(C)cn2
Complexity: __
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Smiles:
O=C1c2ccccc2C(=O)c2c1c(C)c(C)cn2
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: COc1[nH]nc(c1[N+](=O)[O-])C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1[nH]nc(c1[N+](=O)[O-])C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__