2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid

C15H11ClFNO3 — CID 81314313

IUPAC2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid
SMILESCc1cc(Cl)cc(C(=O)Nc2ccc(F)cc2C(=O)O)c1
InChIInChI=1S/C15H11ClFNO3/c1-8-4-9(6-10(16)5-8)14(19)18-13-3-2-11(17)7-12(13)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyUGGZYPGZQHRYDW-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.74
Rot. Bonds3

About 2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid

2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid (PubChem CID 81314313) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is 2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid
PubChem CID81314313
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Name2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid
SMILESCc1cc(Cl)cc(C(=O)Nc2ccc(F)cc2C(=O)O)c1
InChIInChI=1S/C15H11ClFNO3/c1-8-4-9(6-10(16)5-8)14(19)18-13-3-2-11(17)7-12(13)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyUGGZYPGZQHRYDW-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-(2-bromo-5-fluorophenyl)-3-chloro-5-methylbenzamide
CID 103774481
2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid
CID 28545385
5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818783
N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide
CID 81326271
5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24690411
2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157769
N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide
CID 28938547
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
2-[(3,5-dimethylbenzoyl)amino]benzoic acid
CID 16771715
5-fluoro-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 28779501
N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide
CID 112699952
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid
CID 28791303

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid?
The IUPAC name of 2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid (CID 81314313) is 2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid is Cc1cc(Cl)cc(C(=O)Nc2ccc(F)cc2C(=O)O)c1.
What is the InChIKey of 2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid?
The InChIKey is UGGZYPGZQHRYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c1-8-4-9(6-10(16)5-8)14(19)18-13-3-2-11(17)7-12(13)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid?
2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic 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 2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid is sourced from PubChem (CID 81314313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).