2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid

C15H13ClFNO2 — CID 60991180

IUPAC2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid
SMILESO=C(O)C(NCc1ccccc1)c1c(F)cccc1Cl
InChIInChI=1S/C15H13ClFNO2/c16-11-7-4-8-12(17)13(11)14(15(19)20)18-9-10-5-2-1-3-6-10/h1-8,14,18H,9H2,(H,19,20)
InChIKeyLBUFKHWETFVXLU-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.39
Rot. Bonds5

About 2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid

2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid (PubChem CID 60991180) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.72 g/mol. Its IUPAC name is 2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid
PubChem CID60991180
Molecular FormulaC15H13ClFNO2
Molecular Weight293.72 g/mol
Exact Mass293.06
IUPAC Name2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid
SMILESO=C(O)C(NCc1ccccc1)c1c(F)cccc1Cl
InChIInChI=1S/C15H13ClFNO2/c16-11-7-4-8-12(17)13(11)14(15(19)20)18-9-10-5-2-1-3-6-10/h1-8,14,18H,9H2,(H,19,20)
InChIKeyLBUFKHWETFVXLU-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic 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-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 54892847
(2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid
CID 26985403
(2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid
CID 93280060
2-(benzylamino)-2-(3,4-difluorophenyl)acetic acid
CID 60992267
2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid
CID 60992145
2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid
CID 60993002
2-(benzylamino)-2-(3-chloro-4-methylphenyl)acetic acid
CID 106817664
3-(2-chloro-6-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823544
3-(2-chloro-6-fluorophenyl)pentanedioic acid
CID 82132940
(3S)-3-(2-chloro-6-fluorophenyl)-3-hydroxypropanoic acid
CID 94425333
2-(benzylamino)-2-thiophen-2-ylacetic acid
CID 61346757
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid?
The IUPAC name of 2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid (CID 60991180) is 2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid?
The canonical SMILES for 2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid is O=C(O)C(NCc1ccccc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid?
The InChIKey is LBUFKHWETFVXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-11-7-4-8-12(17)13(11)14(15(19)20)18-9-10-5-2-1-3-6-10/h1-8,14,18H,9H2,(H,19,20).
What are the key properties of 2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid?
2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid has a molecular weight of 293.72 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid is sourced from PubChem (CID 60991180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).