2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid

C14H11ClFNO2 — CID 62710779

IUPAC2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid
SMILESO=C(O)c1c(Cl)cccc1NCc1ccc(F)cc1
InChIInChI=1S/C14H11ClFNO2/c15-11-2-1-3-12(13(11)14(18)19)17-8-9-4-6-10(16)7-5-9/h1-7,17H,8H2,(H,18,19)
InChIKeyMANMPKIIGPOTLQ-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.79
Rot. Bonds4

About 2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid

2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid (PubChem CID 62710779) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid
PubChem CID62710779
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid
SMILESO=C(O)c1c(Cl)cccc1NCc1ccc(F)cc1
InChIInChI=1S/C14H11ClFNO2/c15-11-2-1-3-12(13(11)14(18)19)17-8-9-4-6-10(16)7-5-9/h1-7,17H,8H2,(H,18,19)
InChIKeyMANMPKIIGPOTLQ-UHFFFAOYSA-N
XLogP3.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-6-[(4-fluorophenyl)methylamino]benzoic 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-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid
CID 62711304
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide
CID 81089935
3-[(4-fluorophenyl)methylamino]-2-methylbenzoic acid
CID 17058960
2-amino-3-[(4-fluorophenyl)methylamino]benzoic acid
CID 115544478
2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid
CID 79522270
4-chloro-3-[(4-fluorophenyl)methylamino]benzoic acid
CID 17058963
2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid
CID 64694791
2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid
CID 79522747
2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid
CID 58989809
4-[(2-chloro-4-fluoroanilino)methyl]benzoic acid
CID 55049785
4-[(2-bromo-3-chloroanilino)methyl]benzoic acid
CID 103478689

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid?
The IUPAC name of 2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid (CID 62710779) is 2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid is O=C(O)c1c(Cl)cccc1NCc1ccc(F)cc1.
What is the InChIKey of 2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid?
The InChIKey is MANMPKIIGPOTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-11-2-1-3-12(13(11)14(18)19)17-8-9-4-6-10(16)7-5-9/h1-7,17H,8H2,(H,18,19).
What are the key properties of 2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid?
2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid has a molecular weight of 279.70 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid is sourced from PubChem (CID 62710779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).