(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide

C13H19ClN2O — CID 79025472

IUPAC(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
SMILESCC[C@H](N)C(=O)NC(C)Cc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-12(15)13(17)16-9(2)8-10-6-4-5-7-11(10)14/h4-7,9,12H,3,8,15H2,1-2H3,(H,16,17)/t9?,12-/m0/s1
InChIKeyGDHZMYYYYOTQRM-ACGXKRRESA-N
MW254.76 g/mol
LogP2.12
Rot. Bonds5

About (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide

(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide (PubChem CID 79025472) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
PubChem CID79025472
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
SMILESCC[C@H](N)C(=O)NC(C)Cc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-12(15)13(17)16-9(2)8-10-6-4-5-7-11(10)14/h4-7,9,12H,3,8,15H2,1-2H3,(H,16,17)/t9?,12-/m0/s1
InChIKeyGDHZMYYYYOTQRM-ACGXKRRESA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide 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

(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide
CID 61156026
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride
CID 119297318
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929
3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide
CID 81075633
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 81489482
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 79796905
(2S)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]butanamide
CID 79024112
4-acetyl-N-[1-(2-chlorophenyl)propan-2-yl]piperazine-1-carboxamide
CID 110675407

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide (CID 79025472) is (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide is CC[C@H](N)C(=O)NC(C)Cc1ccccc1Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide?
The InChIKey is GDHZMYYYYOTQRM-ACGXKRRESA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-12(15)13(17)16-9(2)8-10-6-4-5-7-11(10)14/h4-7,9,12H,3,8,15H2,1-2H3,(H,16,17)/t9?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide?
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide has a molecular weight of 254.76 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide is sourced from PubChem (CID 79025472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).