2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid

C14H8Cl2FNO3 — CID 81497353

IUPAC2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid
SMILESO=C(Nc1c(F)cccc1C(=O)O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H8Cl2FNO3/c15-9-5-1-3-7(11(9)16)13(19)18-12-8(14(20)21)4-2-6-10(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyFVMMRWNJTULLJW-UHFFFAOYSA-N
MW328.13 g/mol
LogP4.08
Rot. Bonds3

About 2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid

2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid (PubChem CID 81497353) has the molecular formula C14H8Cl2FNO3 and a molecular weight of 328.13 g/mol. Its IUPAC name is 2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid
PubChem CID81497353
Molecular FormulaC14H8Cl2FNO3
Molecular Weight328.13 g/mol
Exact Mass326.99
IUPAC Name2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid
SMILESO=C(Nc1c(F)cccc1C(=O)O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H8Cl2FNO3/c15-9-5-1-3-7(11(9)16)13(19)18-12-8(14(20)21)4-2-6-10(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyFVMMRWNJTULLJW-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

Analyze 2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-bromo-3-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046859
2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107688173
2-(chloroamino)-3-fluorobenzoic acid
CID 139823776
2-[(2,5-dibromothiophene-3-carbonyl)amino]-3-fluorobenzoic acid
CID 107949385
3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
CID 107047080
2,3-dichloro-N-phenylbenzamide
CID 7732866
N-(2-amino-6-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81314667
2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid
CID 66257062
3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107046351
3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522
2,3-dichloro-N-(3-fluorophenyl)benzamide
CID 802685
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid (CID 81497353) is 2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid is O=C(Nc1c(F)cccc1C(=O)O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid?
The InChIKey is FVMMRWNJTULLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FNO3/c15-9-5-1-3-7(11(9)16)13(19)18-12-8(14(20)21)4-2-6-10(12)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid?
2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic 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 2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 81497353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).