2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide

C11H15ClN2O3 — CID 115179694

IUPAC2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(N)CO)cc1Cl
InChIInChI=1S/C11H15ClN2O3/c1-14(11(16)9(13)6-15)7-3-4-10(17-2)8(12)5-7/h3-5,9,15H,6,13H2,1-2H3
InChIKeyBAOFMQHAWQSESF-UHFFFAOYSA-N
MW258.70 g/mol
LogP0.63
Rot. Bonds4

About 2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide

2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide (PubChem CID 115179694) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
PubChem CID115179694
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(N)CO)cc1Cl
InChIInChI=1S/C11H15ClN2O3/c1-14(11(16)9(13)6-15)7-3-4-10(17-2)8(12)5-7/h3-5,9,15H,6,13H2,1-2H3
InChIKeyBAOFMQHAWQSESF-UHFFFAOYSA-N
XLogP0.63
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one
CID 116920607
2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179710
2-amino-3-hydroxy-N-methyl-N-(4-methylphenyl)propanamide
CID 115179676
1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182589
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 83541837
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119807505
2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide
CID 115179737
2-amino-3-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylpropanamide
CID 115179793
2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179679
2-amino-3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115179186
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 119337228
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide?
The IUPAC name of 2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide (CID 115179694) is 2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide is COc1ccc(N(C)C(=O)C(N)CO)cc1Cl.
What is the InChIKey of 2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide?
The InChIKey is BAOFMQHAWQSESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-14(11(16)9(13)6-15)7-3-4-10(17-2)8(12)5-7/h3-5,9,15H,6,13H2,1-2H3.
What are the key properties of 2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide?
2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide has a molecular weight of 258.70 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115179694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).