3-(3-iodoanilino)-2-phenylpropanoic acid

C15H14INO2 — CID 64565441

IUPAC3-(3-iodoanilino)-2-phenylpropanoic acid
SMILESO=C(O)C(CNc1cccc(I)c1)c1ccccc1
InChIInChI=1S/C15H14INO2/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)
InChIKeyRFFLIDMBJQRVRD-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.57
Rot. Bonds5

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

3-(3-iodoanilino)-2-phenylpropanoic acid (PubChem CID 64565441) has the molecular formula C15H14INO2 and a molecular weight of 367.19 g/mol. Its IUPAC name is 3-(3-iodoanilino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(3-iodoanilino)-2-phenylpropanoic acid
PubChem CID64565441
Molecular FormulaC15H14INO2
Molecular Weight367.19 g/mol
Exact Mass367.01
IUPAC Name3-(3-iodoanilino)-2-phenylpropanoic acid
SMILESO=C(O)C(CNc1cccc(I)c1)c1ccccc1
InChIInChI=1S/C15H14INO2/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)
InChIKeyRFFLIDMBJQRVRD-UHFFFAOYSA-N
XLogP3.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-(3-iodoanilino)-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-bromoanilino)-2-phenylpropanoic acid
CID 64567059
(2S)-3-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 118033455
3-(4-ethylanilino)-2-phenylpropanoic acid
CID 64566244
N-(3-iodophenyl)-3,3-diphenylpropanamide
CID 1297500
3-(3-chloro-4-cyanoanilino)-2-phenylpropanoic acid
CID 62945342
2-(3-iodoanilino)-N-phenylacetamide
CID 28829964
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid
CID 61186265
methyl 3-(3-chloroanilino)-2-phenylpropanoate
CID 64565623
methyl 2-(3-iodoanilino)acetate
CID 19829858
3-[(4-iodobenzoyl)amino]-2-phenylpropanoic acid
CID 62883684
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62876566

Frequently Asked Questions

What is the IUPAC name of 3-(3-iodoanilino)-2-phenylpropanoic acid?
The IUPAC name of 3-(3-iodoanilino)-2-phenylpropanoic acid (CID 64565441) is 3-(3-iodoanilino)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(3-iodoanilino)-2-phenylpropanoic acid?
The canonical SMILES for 3-(3-iodoanilino)-2-phenylpropanoic acid is O=C(O)C(CNc1cccc(I)c1)c1ccccc1.
What is the InChIKey of 3-(3-iodoanilino)-2-phenylpropanoic acid?
The InChIKey is RFFLIDMBJQRVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO2/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-iodoanilino)-2-phenylpropanoic acid?
3-(3-iodoanilino)-2-phenylpropanoic acid has a molecular weight of 367.19 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodoanilino)-2-phenylpropanoic acid is sourced from PubChem (CID 64565441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).