2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid

C20H14ClNO3 — CID 28668403

IUPAC2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H14ClNO3/c21-18-12-16(10-11-17(18)20(24)25)22-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)(H,24,25)
InChIKeyQNPLYYSYTLKWKP-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.96
Rot. Bonds4

About 2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid

2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid (PubChem CID 28668403) has the molecular formula C20H14ClNO3 and a molecular weight of 351.79 g/mol. Its IUPAC name is 2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid
PubChem CID28668403
Molecular FormulaC20H14ClNO3
Molecular Weight351.79 g/mol
Exact Mass351.07
IUPAC Name2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H14ClNO3/c21-18-12-16(10-11-17(18)20(24)25)22-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)(H,24,25)
InChIKeyQNPLYYSYTLKWKP-UHFFFAOYSA-N
XLogP4.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 61398494
N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
CID 2113579
2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 28667452
2-chloro-4-phenylbenzoic acid
CID 21487426
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
2-chloro-4-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 61398560
N-[(3,4-dichlorophenyl)carbamothioyl]-4-phenylbenzamide
CID 2209802
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-phenylbenzamide
CID 2209632
4-[3-[(4-phenylbenzoyl)amino]phenoxy]phthalic acid
CID 3107993
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid (CID 28668403) is 2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid is O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid?
The InChIKey is QNPLYYSYTLKWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO3/c21-18-12-16(10-11-17(18)20(24)25)22-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)(H,24,25).
What are the key properties of 2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid?
2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid has a molecular weight of 351.79 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 28668403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).