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

C15H11ClFNO3 — CID 62516513

IUPAC4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(F)c(C(=O)Nc2cc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C15H11ClFNO3/c1-8-2-5-12(17)11(6-8)14(19)18-13-7-9(16)3-4-10(13)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyFBBPIVMZMVATIP-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.74
Rot. Bonds3

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

4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid (PubChem CID 62516513) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is 4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
PubChem CID62516513
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Name4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(F)c(C(=O)Nc2cc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C15H11ClFNO3/c1-8-2-5-12(17)11(6-8)14(19)18-13-7-9(16)3-4-10(13)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyFBBPIVMZMVATIP-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

2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
N-(5-chloro-2-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 79770803
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 62514253
4-chloro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674641
N-(2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62509353
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 55083070
3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
CID 62514248
4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid
CID 106860507

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid (CID 62516513) is 4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid is Cc1ccc(F)c(C(=O)Nc2cc(Cl)ccc2C(=O)O)c1.
What is the InChIKey of 4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid?
The InChIKey is FBBPIVMZMVATIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c1-8-2-5-12(17)11(6-8)14(19)18-13-7-9(16)3-4-10(13)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid?
4-chloro-2-[(2-fluoro-5-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-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 62516513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).