2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide

C16H17IN2O — CID 43708097

IUPAC2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
SMILESCc1cc(I)ccc1NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H17IN2O/c1-11-9-13(17)7-8-15(11)19-16(20)14(18)10-12-5-3-2-4-6-12/h2-9,14H,10,18H2,1H3,(H,19,20)
InChIKeyHXASHYNBUSZKGN-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.11
Rot. Bonds4

About 2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide

2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide (PubChem CID 43708097) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is 2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
PubChem CID43708097
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC Name2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
SMILESCc1cc(I)ccc1NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H17IN2O/c1-11-9-13(17)7-8-15(11)19-16(20)14(18)10-12-5-3-2-4-6-12/h2-9,14H,10,18H2,1H3,(H,19,20)
InChIKeyHXASHYNBUSZKGN-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide 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

(2S)-2-amino-N-(4-iodo-2-methylphenyl)-4-phenylbutanamide
CID 104983994
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
CID 103586069
2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride
CID 119955707
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635
methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride
CID 119299831
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671
(2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide
CID 78985668
(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 104877710
(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
CID 124864491

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide (CID 43708097) is 2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide is Cc1cc(I)ccc1NC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide?
The InChIKey is HXASHYNBUSZKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-11-9-13(17)7-8-15(11)19-16(20)14(18)10-12-5-3-2-4-6-12/h2-9,14H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide?
2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide has a molecular weight of 380.23 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 43708097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).