4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide

C21H18BrNO — CID 4267711

IUPAC4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18BrNO/c1-15(23-21(24)19-11-13-20(22)14-12-19)16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-15H,1H3,(H,23,24)
InChIKeyNKFHQYUYBLLTHE-UHFFFAOYSA-N
MW380.29 g/mol
LogP5.61
Rot. Bonds4

About 4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide

4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide (PubChem CID 4267711) has the molecular formula C21H18BrNO and a molecular weight of 380.29 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
PubChem CID4267711
Molecular FormulaC21H18BrNO
Molecular Weight380.29 g/mol
Exact Mass379.06
IUPAC Name4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18BrNO/c1-15(23-21(24)19-11-13-20(22)14-12-19)16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-15H,1H3,(H,23,24)
InChIKeyNKFHQYUYBLLTHE-UHFFFAOYSA-N
XLogP5.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.29
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55350026
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 93017305
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide
CID 102850891
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide
CID 155522708
2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
CID 81356390
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24635359
2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
4-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2090399
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide (CID 4267711) is 4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide is CC(NC(=O)c1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide?
The InChIKey is NKFHQYUYBLLTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO/c1-15(23-21(24)19-11-13-20(22)14-12-19)16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-15H,1H3,(H,23,24).
What are the key properties of 4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide?
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide has a molecular weight of 380.29 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide is sourced from PubChem (CID 4267711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).