3-(3-bromoanilino)-2-phenylpropanoic acid

C15H14BrNO2 — CID 64567059

IUPAC3-(3-bromoanilino)-2-phenylpropanoic acid
SMILESO=C(O)C(CNc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H14BrNO2/c16-12-7-4-8-13(9-12)17-10-14(15(18)19)11-5-2-1-3-6-11/h1-9,14,17H,10H2,(H,18,19)
InChIKeyNTLTXTHFKVLSCL-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.73
Rot. Bonds5

About 3-(3-bromoanilino)-2-phenylpropanoic acid

3-(3-bromoanilino)-2-phenylpropanoic acid (PubChem CID 64567059) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-(3-bromoanilino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(3-bromoanilino)-2-phenylpropanoic acid
PubChem CID64567059
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name3-(3-bromoanilino)-2-phenylpropanoic acid
SMILESO=C(O)C(CNc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H14BrNO2/c16-12-7-4-8-13(9-12)17-10-14(15(18)19)11-5-2-1-3-6-11/h1-9,14,17H,10H2,(H,18,19)
InChIKeyNTLTXTHFKVLSCL-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-bromoanilino)-2-phenylpropanoic 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-(3-iodoanilino)-2-phenylpropanoic acid
CID 64565441
2-(3-bromoanilino)-1-phenylethanol
CID 60719910
(2S)-3-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 118033455
3-(4-ethylanilino)-2-phenylpropanoic acid
CID 64566244
3-(3-chloro-4-cyanoanilino)-2-phenylpropanoic acid
CID 62945342
methyl 3-(3-bromoanilino)-2-methylpropanoate
CID 43538528
methyl 3-(3-chloroanilino)-2-phenylpropanoate
CID 64565623
2-(3-bromophenyl)-4-hydroxybutanoic acid
CID 79440872
1-amino-3-(3-bromoanilino)propan-2-ol
CID 15564361
(2S)-1-(3-bromoanilino)butan-2-ol
CID 93345591
[2-(3-bromoanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 2336027
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62876566

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoanilino)-2-phenylpropanoic acid?
The IUPAC name of 3-(3-bromoanilino)-2-phenylpropanoic acid (CID 64567059) is 3-(3-bromoanilino)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(3-bromoanilino)-2-phenylpropanoic acid?
The canonical SMILES for 3-(3-bromoanilino)-2-phenylpropanoic acid is O=C(O)C(CNc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-(3-bromoanilino)-2-phenylpropanoic acid?
The InChIKey is NTLTXTHFKVLSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-12-7-4-8-13(9-12)17-10-14(15(18)19)11-5-2-1-3-6-11/h1-9,14,17H,10H2,(H,18,19).
What are the key properties of 3-(3-bromoanilino)-2-phenylpropanoic acid?
3-(3-bromoanilino)-2-phenylpropanoic acid has a molecular weight of 320.19 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoanilino)-2-phenylpropanoic acid is sourced from PubChem (CID 64567059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).