2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid

C21H16ClNO3 — CID 57465439

IUPAC2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2ccccc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16ClNO3/c22-16-9-7-15(8-10-16)18-3-1-2-4-19(18)21(26)23-17-11-5-14(6-12-17)13-20(24)25/h1-12H,13H2,(H,23,26)(H,24,25)
InChIKeyNLBVJTRKMHNURU-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.89
Rot. Bonds5

About 2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid

2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid (PubChem CID 57465439) has the molecular formula C21H16ClNO3 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid
PubChem CID57465439
Molecular FormulaC21H16ClNO3
Molecular Weight365.82 g/mol
Exact Mass365.08
IUPAC Name2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2ccccc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16ClNO3/c22-16-9-7-15(8-10-16)18-3-1-2-4-19(18)21(26)23-17-11-5-14(6-12-17)13-20(24)25/h1-12H,13H2,(H,23,26)(H,24,25)
InChIKeyNLBVJTRKMHNURU-UHFFFAOYSA-N
XLogP4.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-phenylbenzamide
CID 102340259
2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid
CID 62648476
N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide
CID 22010622
2-(aminomethyl)-N-(4-chlorophenyl)benzamide
CID 82546810
N-[4-(ethylamino)phenyl]-2-(4-methylphenyl)benzamide
CID 141052756
4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate
CID 6980706
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
CID 112982578
2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 59654726
2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
CID 1313702
N-(4-chlorophenyl)-2-imidazo[1,2-a]pyridin-2-ylbenzamide
CID 132528901
N-[4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]phenyl]-2-methylbenzamide
CID 17251768

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid (CID 57465439) is 2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)c2ccccc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid?
The InChIKey is NLBVJTRKMHNURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO3/c22-16-9-7-15(8-10-16)18-3-1-2-4-19(18)21(26)23-17-11-5-14(6-12-17)13-20(24)25/h1-12H,13H2,(H,23,26)(H,24,25).
What are the key properties of 2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid?
2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid has a molecular weight of 365.82 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 57465439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).