2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid

C14H10ClF2NO2 — CID 62649558

IUPAC2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10ClF2NO2/c15-10-6-8(4-5-11(10)16)7-18-13-9(14(19)20)2-1-3-12(13)17/h1-6,18H,7H2,(H,19,20)
InChIKeySEDVFWIGZWKCKA-UHFFFAOYSA-N
MW297.69 g/mol
LogP3.93
Rot. Bonds4

About 2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid

2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid (PubChem CID 62649558) has the molecular formula C14H10ClF2NO2 and a molecular weight of 297.69 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid
PubChem CID62649558
Molecular FormulaC14H10ClF2NO2
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC Name2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10ClF2NO2/c15-10-6-8(4-5-11(10)16)7-18-13-9(14(19)20)2-1-3-12(13)17/h1-6,18H,7H2,(H,19,20)
InChIKeySEDVFWIGZWKCKA-UHFFFAOYSA-N
XLogP3.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-chloro-4-fluorophenyl)methylamino]-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

3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62648664
2,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81145127
2-(1,3-benzodioxol-5-ylmethylamino)-3-fluorobenzoic acid
CID 62905244
3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid
CID 62650638
5-amino-2-[(3-chloro-4-fluorophenyl)methylamino]benzoic acid
CID 62532789
2-[2-(2,4-dichlorophenyl)ethylamino]-3-fluorobenzoic acid
CID 63537644
4-[(3-chloro-4-fluorophenyl)methylamino]benzoic acid
CID 62531732
2-(chloroamino)-3-fluorobenzoic acid
CID 139823776
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]benzoic acid
CID 62532100
3-[(3-chloro-4-fluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 109480054
3-fluoro-2-(2-phenylethylamino)benzoic acid
CID 62650969
2-[(3,4-difluorophenyl)methylamino]benzoic acid
CID 43322141

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid (CID 62649558) is 2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid is O=C(O)c1cccc(F)c1NCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid?
The InChIKey is SEDVFWIGZWKCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO2/c15-10-6-8(4-5-11(10)16)7-18-13-9(14(19)20)2-1-3-12(13)17/h1-6,18H,7H2,(H,19,20).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid?
2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid has a molecular weight of 297.69 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid is sourced from PubChem (CID 62649558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).