4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid

C23H20ClNO3 — CID 78319440

IUPAC4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid
SMILESCc1ccc(-c2cccc(Cl)c2)cc1C(=O)Nc1c(C)cc(C(=O)O)cc1C
InChIInChI=1S/C23H20ClNO3/c1-13-7-8-17(16-5-4-6-19(24)11-16)12-20(13)22(26)25-21-14(2)9-18(23(27)28)10-15(21)3/h4-12H,1-3H3,(H,25,26)(H,27,28)
InChIKeyQCLQEQGYDPFKTF-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.88
Rot. Bonds4

About 4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid

4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid (PubChem CID 78319440) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is 4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid
PubChem CID78319440
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC Name4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid
SMILESCc1ccc(-c2cccc(Cl)c2)cc1C(=O)Nc1c(C)cc(C(=O)O)cc1C
InChIInChI=1S/C23H20ClNO3/c1-13-7-8-17(16-5-4-6-19(24)11-16)12-20(13)22(26)25-21-14(2)9-18(23(27)28)10-15(21)3/h4-12H,1-3H3,(H,25,26)(H,27,28)
InChIKeyQCLQEQGYDPFKTF-UHFFFAOYSA-N
XLogP5.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid
CID 78319505
4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid
CID 78319441
3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid
CID 78319377
5-(3-chlorophenyl)-2-methylbenzoyl chloride
CID 90329291
methyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate
CID 122506995
3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 82811022
2-methyl-5-(3-methylphenyl)benzoic acid
CID 65309585
5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 65307111
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
3-chloro-5-(3-hydroxyphenyl)benzoic acid
CID 53224975
2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
CID 2249172
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid?
The IUPAC name of 4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid (CID 78319440) is 4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid.
What is the SMILES notation for 4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid?
The canonical SMILES for 4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid is Cc1ccc(-c2cccc(Cl)c2)cc1C(=O)Nc1c(C)cc(C(=O)O)cc1C.
What is the InChIKey of 4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid?
The InChIKey is QCLQEQGYDPFKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3/c1-13-7-8-17(16-5-4-6-19(24)11-16)12-20(13)22(26)25-21-14(2)9-18(23(27)28)10-15(21)3/h4-12H,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid?
4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid has a molecular weight of 393.87 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid is sourced from PubChem (CID 78319440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).