2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid

C20H14BrNO3 — CID 21238494

IUPAC2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(-c2ccccc2C(=O)O)c1
InChIInChI=1S/C20H14BrNO3/c21-15-8-10-16(11-9-15)22-19(23)14-5-3-4-13(12-14)17-6-1-2-7-18(17)20(24)25/h1-12H,(H,22,23)(H,24,25)
InChIKeyKQEAINCQJMNMCV-UHFFFAOYSA-N
MW396.24 g/mol
LogP5.07
Rot. Bonds4

About 2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid

2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid (PubChem CID 21238494) has the molecular formula C20H14BrNO3 and a molecular weight of 396.24 g/mol. Its IUPAC name is 2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
PubChem CID21238494
Molecular FormulaC20H14BrNO3
Molecular Weight396.24 g/mol
Exact Mass395.02
IUPAC Name2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(-c2ccccc2C(=O)O)c1
InChIInChI=1S/C20H14BrNO3/c21-15-8-10-16(11-9-15)22-19(23)14-5-3-4-13(12-14)17-6-1-2-7-18(17)20(24)25/h1-12H,(H,22,23)(H,24,25)
InChIKeyKQEAINCQJMNMCV-UHFFFAOYSA-N
XLogP5.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.24
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
2-(3-acetylphenyl)benzoic acid
CID 2756265
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
N-(4-bromophenyl)-3-thiophen-2-ylbenzamide
CID 4862004
N-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide
CID 169421607
N-(4-acetamidophenyl)-3-phenylbenzamide
CID 117092873
2-[(3-bromobenzoyl)amino]-N-phenylbenzamide
CID 54790950
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
2-[4-bromo-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid
CID 22626239
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid?
The IUPAC name of 2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid (CID 21238494) is 2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid?
The canonical SMILES for 2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid is O=C(Nc1ccc(Br)cc1)c1cccc(-c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid?
The InChIKey is KQEAINCQJMNMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO3/c21-15-8-10-16(11-9-15)22-19(23)14-5-3-4-13(12-14)17-6-1-2-7-18(17)20(24)25/h1-12H,(H,22,23)(H,24,25).
What are the key properties of 2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid?
2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid has a molecular weight of 396.24 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid is sourced from PubChem (CID 21238494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).