2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride

C10H14ClIN2O2 — CID 120984756

IUPAC2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1ccc(I)cc1.Cl
InChIInChI=1S/C10H13IN2O2.ClH/c1-15-6-9(12)10(14)13-8-4-2-7(11)3-5-8;/h2-5,9H,6,12H2,1H3,(H,13,14);1H
InChIKeyQCOUJMNZDBOAMO-UHFFFAOYSA-N
MW356.59 g/mol
LogP1.63
Rot. Bonds4

About 2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride

2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride (PubChem CID 120984756) has the molecular formula C10H14ClIN2O2 and a molecular weight of 356.59 g/mol. Its IUPAC name is 2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
PubChem CID120984756
Molecular FormulaC10H14ClIN2O2
Molecular Weight356.59 g/mol
Exact Mass355.98
IUPAC Name2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1ccc(I)cc1.Cl
InChIInChI=1S/C10H13IN2O2.ClH/c1-15-6-9(12)10(14)13-8-4-2-7(11)3-5-8;/h2-5,9H,6,12H2,1H3,(H,13,14);1H
InChIKeyQCOUJMNZDBOAMO-UHFFFAOYSA-N
XLogP1.63
TPSA64.35 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 ≤ 51.63
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

2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
CID 81081326
2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 120986274
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
ethyl 4-[(2-amino-3-methoxypropanoyl)amino]benzoate
CID 81088417
methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate
CID 81083437
2-amino-3-methoxy-N-[4-(2-methylsulfanylethyl)phenyl]propanamide;hydrochloride
CID 120988865
2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide
CID 81083287
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride
CID 120989161
2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 81082842
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
2-[(4-iodophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085093

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride (CID 120984756) is 2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)Nc1ccc(I)cc1.Cl.
What is the InChIKey of 2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride?
The InChIKey is QCOUJMNZDBOAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2.ClH/c1-15-6-9(12)10(14)13-8-4-2-7(11)3-5-8;/h2-5,9H,6,12H2,1H3,(H,13,14);1H.
What are the key properties of 2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride?
2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride has a molecular weight of 356.59 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120984756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).