4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid

C15H11ClFNO3 — CID 117044904

IUPAC4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid
SMILESCc1cc(Cl)c(C(=O)Nc2ccc(C(=O)O)cc2)cc1F
InChIInChI=1S/C15H11ClFNO3/c1-8-6-12(16)11(7-13(8)17)14(19)18-10-4-2-9(3-5-10)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyDFQHVRSHFJJLDT-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.74
Rot. Bonds3

About 4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid

4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid (PubChem CID 117044904) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is 4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid
PubChem CID117044904
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Name4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid
SMILESCc1cc(Cl)c(C(=O)Nc2ccc(C(=O)O)cc2)cc1F
InChIInChI=1S/C15H11ClFNO3/c1-8-6-12(16)11(7-13(8)17)14(19)18-10-4-2-9(3-5-10)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyDFQHVRSHFJJLDT-UHFFFAOYSA-N
XLogP3.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide
CID 117044896
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 8698727
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 26899774
2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 46823403
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
2-chloro-N-(3-fluoro-4-methylphenyl)-5-hydroxybenzamide
CID 106501312
3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 75472219
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid (CID 117044904) is 4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid is Cc1cc(Cl)c(C(=O)Nc2ccc(C(=O)O)cc2)cc1F.
What is the InChIKey of 4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid?
The InChIKey is DFQHVRSHFJJLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c1-8-6-12(16)11(7-13(8)17)14(19)18-10-4-2-9(3-5-10)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid?
4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid has a molecular weight of 307.71 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 117044904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).