2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid

C14H8ClF2NO3 — CID 60748188

IUPAC2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H8ClF2NO3/c15-10-3-2-8(6-9(10)14(20)21)18-13(19)7-1-4-11(16)12(17)5-7/h1-6H,(H,18,19)(H,20,21)
InChIKeyMHSFZPJOSLKHNJ-UHFFFAOYSA-N
MW311.67 g/mol
LogP3.57
Rot. Bonds3

About 2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid

2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid (PubChem CID 60748188) has the molecular formula C14H8ClF2NO3 and a molecular weight of 311.67 g/mol. Its IUPAC name is 2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid
PubChem CID60748188
Molecular FormulaC14H8ClF2NO3
Molecular Weight311.67 g/mol
Exact Mass311.02
IUPAC Name2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H8ClF2NO3/c15-10-3-2-8(6-9(10)14(20)21)18-13(19)7-1-4-11(16)12(17)5-7/h1-6H,(H,18,19)(H,20,21)
InChIKeyMHSFZPJOSLKHNJ-UHFFFAOYSA-N
XLogP3.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.67
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 87026429
2-chloro-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 60748503
N-(3-carbamothioyl-4-fluorophenyl)-4-chloro-3-fluorobenzamide
CID 107987783
N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide
CID 41305249
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
CID 107937795
3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid
CID 106703565
4-chloro-N-(3,4-difluorophenyl)-3-(methylaminomethylsulfanyl)benzamide
CID 167246710
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
CID 167246589
2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 60825323

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid?
The IUPAC name of 2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid (CID 60748188) is 2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid is O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid?
The InChIKey is MHSFZPJOSLKHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2NO3/c15-10-3-2-8(6-9(10)14(20)21)18-13(19)7-1-4-11(16)12(17)5-7/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid?
2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid has a molecular weight of 311.67 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 60748188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).