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

C16H17IN2O — CID 78985668

IUPAC(2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(NC(=O)[C@H](N)Cc2ccccc2)cc1I
InChIInChI=1S/C16H17IN2O/c1-11-7-8-13(10-14(11)17)19-16(20)15(18)9-12-5-3-2-4-6-12/h2-8,10,15H,9,18H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyYXPCSXKDRNVJAL-OAHLLOKOSA-N
MW380.23 g/mol
LogP3.11
Rot. Bonds4

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

(2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide (PubChem CID 78985668) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide
PubChem CID78985668
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC Name(2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(NC(=O)[C@H](N)Cc2ccccc2)cc1I
InChIInChI=1S/C16H17IN2O/c1-11-7-8-13(10-14(11)17)19-16(20)15(18)9-12-5-3-2-4-6-12/h2-8,10,15H,9,18H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyYXPCSXKDRNVJAL-OAHLLOKOSA-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'}

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Related Compounds

2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 63334484
(2S)-2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 22691230
2-amino-N-(3-iodo-4-methylphenyl)butanamide
CID 43707975
(2S)-2-amino-N-(4-bromo-3-methylphenyl)-3-phenylpropanamide
CID 22691303
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
CID 119263742
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
2-amino-N-(3-iodo-4-methylphenyl)hexanamide
CID 60853696

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide (CID 78985668) is (2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide is Cc1ccc(NC(=O)[C@H](N)Cc2ccccc2)cc1I.
What is the InChIKey of (2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide?
The InChIKey is YXPCSXKDRNVJAL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-11-7-8-13(10-14(11)17)19-16(20)15(18)9-12-5-3-2-4-6-12/h2-8,10,15H,9,18H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide?
(2R)-2-amino-N-(3-iodo-4-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 (2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 78985668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).