(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide

C11H15ClN2O — CID 8541703

IUPAC(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
SMILESC[C@@H](C(N)=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-8(11(13)15)14(2)7-9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3,(H2,13,15)/t8-/m0/s1
InChIKeyROCKQJPOKHREPU-QMMMGPOBSA-N
MW226.71 g/mol
LogP1.65
Rot. Bonds4

About (2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide

(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide (PubChem CID 8541703) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is (2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
PubChem CID8541703
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
SMILESC[C@@H](C(N)=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-8(11(13)15)14(2)7-9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3,(H2,13,15)/t8-/m0/s1
InChIKeyROCKQJPOKHREPU-QMMMGPOBSA-N
XLogP1.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide 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

2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetamide
CID 46678627
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 46801717
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
(2S)-2-[(2-chlorophenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70067547
2-[(2-chlorophenyl)methyl-methylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 78786364
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 86911542
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid
CID 61416812
2-[(2-chlorophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 46801701
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 86918903
(2R)-2-[(2-chlorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8541611
(2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide
CID 167868136

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide?
The IUPAC name of (2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide (CID 8541703) is (2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide is C[C@@H](C(N)=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of (2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide?
The InChIKey is ROCKQJPOKHREPU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8(11(13)15)14(2)7-9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3,(H2,13,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide?
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide has a molecular weight of 226.71 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 8541703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).