(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide

C15H15IN2O — CID 28976654

IUPAC(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
SMILESN[C@H](Cc1ccccc1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C15H15IN2O/c16-12-6-8-13(9-7-12)18-15(19)14(17)10-11-4-2-1-3-5-11/h1-9,14H,10,17H2,(H,18,19)/t14-/m1/s1
InChIKeyQZAALTKXYQKEEJ-CQSZACIVSA-N
MW366.20 g/mol
LogP2.80
Rot. Bonds4

About (2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide

(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide (PubChem CID 28976654) has the molecular formula C15H15IN2O and a molecular weight of 366.20 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
PubChem CID28976654
Molecular FormulaC15H15IN2O
Molecular Weight366.20 g/mol
Exact Mass366.02
IUPAC Name(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
SMILESN[C@H](Cc1ccccc1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C15H15IN2O/c16-12-6-8-13(9-7-12)18-15(19)14(17)10-11-4-2-1-3-5-11/h1-9,14H,10,17H2,(H,18,19)/t14-/m1/s1
InChIKeyQZAALTKXYQKEEJ-CQSZACIVSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 52.80
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

4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950
(2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide
CID 78985668
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 119276864
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-3-methylbutanamide;hydrochloride
CID 119278732
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide (CID 28976654) is (2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide is N[C@H](Cc1ccccc1)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of (2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide?
The InChIKey is QZAALTKXYQKEEJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15IN2O/c16-12-6-8-13(9-7-12)18-15(19)14(17)10-11-4-2-1-3-5-11/h1-9,14H,10,17H2,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide?
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide has a molecular weight of 366.20 g/mol, XLogP of 2.80, 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-(4-iodophenyl)-3-phenylpropanamide is sourced from PubChem (CID 28976654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).