(2S)-2-(4-chlorophenyl)butanamide

C10H12ClNO — CID 174406593

IUPAC(2S)-2-(4-chlorophenyl)butanamide
SMILESCC[C@H](C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3,(H2,12,13)/t9-/m0/s1
InChIKeyGSJSJGMOTPOAKZ-VIFPVBQESA-N
MW197.67 g/mol
LogP2.32
Rot. Bonds3

About (2S)-2-(4-chlorophenyl)butanamide

(2S)-2-(4-chlorophenyl)butanamide (PubChem CID 174406593) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)butanamide
PubChem CID174406593
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name(2S)-2-(4-chlorophenyl)butanamide
SMILESCC[C@H](C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3,(H2,12,13)/t9-/m0/s1
InChIKeyGSJSJGMOTPOAKZ-VIFPVBQESA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-(4-chlorophenyl)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

(2R)-2-phenylbutanamide
CID 139147476
2-[4-(methylamino)phenyl]butanamide
CID 175192673
2-pyridin-4-ylbutanamide
CID 67405148
2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 67518773
2-(4-chlorophenyl)-4-hydroxyhexanoic acid
CID 79441149
(2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide
CID 87430250
(2R)-2-(4-chlorophenyl)-2-hydroxyacetamide
CID 69300221
(2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide
CID 67518777
3-(1-amino-1-oxobutan-2-yl)-2-chloro-4-fluorobenzamide
CID 91612767
4-amino-3-(4-chlorophenyl)hexanoic acid
CID 66099214
(2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide
CID 177299430
[2-acetyloxy-4-(1-amino-1-oxobutan-2-yl)phenyl] acetate
CID 139641545

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)butanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)butanamide (CID 174406593) is (2S)-2-(4-chlorophenyl)butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)butanamide is CC[C@H](C(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)butanamide?
The InChIKey is GSJSJGMOTPOAKZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12ClNO/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3,(H2,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)butanamide?
(2S)-2-(4-chlorophenyl)butanamide has a molecular weight of 197.67 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)butanamide is sourced from PubChem (CID 174406593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).