5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid

C14H8Cl2FNO3 — CID 81265567

IUPAC5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C14H8Cl2FNO3/c15-7-4-5-11(9(6-7)14(20)21)18-13(19)8-2-1-3-10(16)12(8)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyWFMHDRRPEWPPFT-UHFFFAOYSA-N
MW328.13 g/mol
LogP4.08
Rot. Bonds3

About 5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid

5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid (PubChem CID 81265567) has the molecular formula C14H8Cl2FNO3 and a molecular weight of 328.13 g/mol. Its IUPAC name is 5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid
PubChem CID81265567
Molecular FormulaC14H8Cl2FNO3
Molecular Weight328.13 g/mol
Exact Mass326.99
IUPAC Name5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C14H8Cl2FNO3/c15-7-4-5-11(9(6-7)14(20)21)18-13(19)8-2-1-3-10(16)12(8)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyWFMHDRRPEWPPFT-UHFFFAOYSA-N
XLogP4.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid
CID 10427632
N-(2-amino-4-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81265128
3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid
CID 81266249
N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
CID 103766879
5-amino-2-[(2-chlorobenzoyl)amino]benzoic acid
CID 63115639
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
CID 107047080
N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 80717854
N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide
CID 81004240
N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81002084
2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid
CID 81480850
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid (CID 81265567) is 5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid is O=C(O)c1cc(Cl)ccc1NC(=O)c1cccc(Cl)c1F.
What is the InChIKey of 5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid?
The InChIKey is WFMHDRRPEWPPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FNO3/c15-7-4-5-11(9(6-7)14(20)21)18-13(19)8-2-1-3-10(16)12(8)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid?
5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid has a molecular weight of 328.13 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 81265567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).