N-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride

C10H14ClIN2O2 — CID 119756577

IUPACN-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1cc(OC)ccc1I.Cl
InChIInChI=1S/C10H13IN2O2.ClH/c1-12-6-10(14)13-9-5-7(15-2)3-4-8(9)11;/h3-5,12H,6H2,1-2H3,(H,13,14);1H
InChIKeyUHOBKDXIQHMDCK-UHFFFAOYSA-N
MW356.59 g/mol
LogP1.88
Rot. Bonds4

About N-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride

N-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride (PubChem CID 119756577) has the molecular formula C10H14ClIN2O2 and a molecular weight of 356.59 g/mol. Its IUPAC name is N-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride
PubChem CID119756577
Molecular FormulaC10H14ClIN2O2
Molecular Weight356.59 g/mol
Exact Mass355.98
IUPAC NameN-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1cc(OC)ccc1I.Cl
InChIInChI=1S/C10H13IN2O2.ClH/c1-12-6-10(14)13-9-5-7(15-2)3-4-8(9)11;/h3-5,12H,6H2,1-2H3,(H,13,14);1H
InChIKeyUHOBKDXIQHMDCK-UHFFFAOYSA-N
XLogP1.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.59
LogP ≤ 51.88
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

3-amino-N-(2-iodo-5-methoxyphenyl)propanamide
CID 119307883
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119715086
2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride
CID 119307884
(2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide
CID 119307887
N-(2-methoxy-4-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119740565
N-[4-(3,5-dimethoxyphenoxy)phenyl]-2-(methylamino)acetamide
CID 154939563
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119723419
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119820030
N,N'-bis(5-methoxy-2-methylphenyl)decanediamide
CID 10670784
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119674285
N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 47088024

Frequently Asked Questions

What is the IUPAC name of N-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride (CID 119756577) is N-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride is CNCC(=O)Nc1cc(OC)ccc1I.Cl.
What is the InChIKey of N-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride?
The InChIKey is UHOBKDXIQHMDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2.ClH/c1-12-6-10(14)13-9-5-7(15-2)3-4-8(9)11;/h3-5,12H,6H2,1-2H3,(H,13,14);1H.
What are the key properties of N-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride?
N-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride has a molecular weight of 356.59 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119756577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).