2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride

C10H14ClIN2O2 — CID 119307884

IUPAC2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(I)c(NC(=O)C(C)N)c1.Cl
InChIInChI=1S/C10H13IN2O2.ClH/c1-6(12)10(14)13-9-5-7(15-2)3-4-8(9)11;/h3-6H,12H2,1-2H3,(H,13,14);1H
InChIKeyJGDGOJTWRIQWLK-UHFFFAOYSA-N
MW356.59 g/mol
LogP2.01
Rot. Bonds3

About 2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride

2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride (PubChem CID 119307884) has the molecular formula C10H14ClIN2O2 and a molecular weight of 356.59 g/mol. Its IUPAC name is 2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride
PubChem CID119307884
Molecular FormulaC10H14ClIN2O2
Molecular Weight356.59 g/mol
Exact Mass355.98
IUPAC Name2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(I)c(NC(=O)C(C)N)c1.Cl
InChIInChI=1S/C10H13IN2O2.ClH/c1-6(12)10(14)13-9-5-7(15-2)3-4-8(9)11;/h3-6H,12H2,1-2H3,(H,13,14);1H
InChIKeyJGDGOJTWRIQWLK-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.59
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide
CID 119307887
(2R)-2-amino-N-(2-formamido-5-methoxyphenyl)propanamide
CID 143527427
3-amino-N-(2-iodo-5-methoxyphenyl)propanamide
CID 119307883
N-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119756577
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
CID 113416369
2-amino-3-methoxy-N-(5-methoxy-2-methylphenyl)propanamide
CID 114252735
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
CID 119292528
3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119674271
N-(5-bromo-2-iodophenyl)-2-methoxypropanamide
CID 47403053

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride (CID 119307884) is 2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride is COc1ccc(I)c(NC(=O)C(C)N)c1.Cl.
What is the InChIKey of 2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is JGDGOJTWRIQWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2.ClH/c1-6(12)10(14)13-9-5-7(15-2)3-4-8(9)11;/h3-6H,12H2,1-2H3,(H,13,14);1H.
What are the key properties of 2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride?
2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 356.59 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119307884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).