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

C11H15ClN2O2 — CID 116850489

IUPAC2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)C(N)Cc1ccc(OC)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-14-11(15)9(13)6-7-3-4-10(16-2)8(12)5-7/h3-5,9H,6,13H2,1-2H3,(H,14,15)
InChIKeyZEXUGIUDRJCDGW-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.96
Rot. Bonds4

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

2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide (PubChem CID 116850489) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide
PubChem CID116850489
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)C(N)Cc1ccc(OC)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-14-11(15)9(13)6-7-3-4-10(16-2)8(12)5-7/h3-5,9H,6,13H2,1-2H3,(H,14,15)
InChIKeyZEXUGIUDRJCDGW-UHFFFAOYSA-N
XLogP0.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentyl 2-amino-3-(3-chloro-4-methoxyphenyl)propanoate
CID 5276844
2-[(3-chloro-4-methoxyphenyl)methyl]propanedioic acid
CID 82121039
(3R,6S)-1,8-bis(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydroxyoctane-4,5-dione
CID 91056807
(2S)-2-amino-3-(4-chloro-3-methoxyphenyl)propanoic acid
CID 57319937
methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 68772138
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
methyl (2R)-3-(3-chloro-4-methoxyphenyl)-2-(prop-2-enoylamino)propanoate
CID 164901677
methyl 3-(3-chloro-4-methoxyphenyl)-2-(dimethylaminomethylideneamino)propanoate
CID 91717893
(2S)-2-[3-[[(2R)-2-amino-3-(3-chloro-4-methoxyphenyl)propanoyl]amino]-2,2-dimethylpropanoyl]oxy-4-methylpentanoic acid
CID 70660583
2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide
CID 62097179
2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide
CID 61389158
3-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 112509599

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of 2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide (CID 116850489) is 2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for 2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide is CNC(=O)C(N)Cc1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is ZEXUGIUDRJCDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-14-11(15)9(13)6-7-3-4-10(16-2)8(12)5-7/h3-5,9H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide?
2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 242.71 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 116850489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).