2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid

C16H15ClFNO2 — CID 83058705

IUPAC2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid
SMILESCC(NC(C(=O)O)c1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H15ClFNO2/c1-10(12-7-8-13(17)14(18)9-12)19-15(16(20)21)11-5-3-2-4-6-11/h2-10,15,19H,1H3,(H,20,21)
InChIKeyRREKCSPMIVDQLX-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.96
Rot. Bonds5

About 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid

2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid (PubChem CID 83058705) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid
PubChem CID83058705
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid
SMILESCC(NC(C(=O)O)c1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H15ClFNO2/c1-10(12-7-8-13(17)14(18)9-12)19-15(16(20)21)11-5-3-2-4-6-11/h2-10,15,19H,1H3,(H,20,21)
InChIKeyRREKCSPMIVDQLX-UHFFFAOYSA-N
XLogP3.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic 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-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid
CID 103257236
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 83059762
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 83069629
methyl (2S)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propanoate
CID 83069851
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829
2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid
CID 82775621
2-[1-(4-chlorophenyl)ethylamino]-2-phenylacetamide
CID 51074999
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765
2-[1-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethylamino]-2-phenylacetic acid
CID 166402954

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid?
The IUPAC name of 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid (CID 83058705) is 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid is CC(NC(C(=O)O)c1ccccc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid?
The InChIKey is RREKCSPMIVDQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-10(12-7-8-13(17)14(18)9-12)19-15(16(20)21)11-5-3-2-4-6-11/h2-10,15,19H,1H3,(H,20,21).
What are the key properties of 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid?
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid has a molecular weight of 307.75 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid is sourced from PubChem (CID 83058705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).