4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid

C12H7ClFNO3S — CID 80644550

IUPAC4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2sccc2Cl)c(F)c1
InChIInChI=1S/C12H7ClFNO3S/c13-7-3-4-19-10(7)11(16)15-9-2-1-6(12(17)18)5-8(9)14/h1-5H,(H,15,16)(H,17,18)
InChIKeyQWGWXMQIAFFVRV-UHFFFAOYSA-N
MW299.71 g/mol
LogP3.49
Rot. Bonds3

About 4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid

4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid (PubChem CID 80644550) has the molecular formula C12H7ClFNO3S and a molecular weight of 299.71 g/mol. Its IUPAC name is 4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid
PubChem CID80644550
Molecular FormulaC12H7ClFNO3S
Molecular Weight299.71 g/mol
Exact Mass298.98
IUPAC Name4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2sccc2Cl)c(F)c1
InChIInChI=1S/C12H7ClFNO3S/c13-7-3-4-19-10(7)11(16)15-9-2-1-6(12(17)18)5-8(9)14/h1-5H,(H,15,16)(H,17,18)
InChIKeyQWGWXMQIAFFVRV-UHFFFAOYSA-N
XLogP3.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide
CID 80645283
3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81126917
3-chloro-4-[(3-chloro-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 103400150
4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190056
3-chloro-N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 107809864
4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid
CID 103871818
4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 63189025
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
4-[(3,4-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107728087
3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide
CID 80641212

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid (CID 80644550) is 4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid is O=C(O)c1ccc(NC(=O)c2sccc2Cl)c(F)c1.
What is the InChIKey of 4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid?
The InChIKey is QWGWXMQIAFFVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO3S/c13-7-3-4-19-10(7)11(16)15-9-2-1-6(12(17)18)5-8(9)14/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid?
4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid has a molecular weight of 299.71 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 80644550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).