2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide

C6H12ClNO2 — CID 155389000

IUPAC2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
SMILESC[C@@H](CCO)NC(=O)CCl
InChIInChI=1S/C6H12ClNO2/c1-5(2-3-9)8-6(10)4-7/h5,9H,2-4H2,1H3,(H,8,10)/t5-/m0/s1
InChIKeyRBCNJTMLUGCDMJ-YFKPBYRVSA-N
MW165.62 g/mol
LogP0.11
Rot. Bonds4

About 2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide

2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide (PubChem CID 155389000) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
PubChem CID155389000
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
SMILESC[C@@H](CCO)NC(=O)CCl
InChIInChI=1S/C6H12ClNO2/c1-5(2-3-9)8-6(10)4-7/h5,9H,2-4H2,1H3,(H,8,10)/t5-/m0/s1
InChIKeyRBCNJTMLUGCDMJ-YFKPBYRVSA-N
XLogP0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide 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-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424
2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide
CID 87981003
2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700
5-chloro-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177024
2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide
CID 162712779
2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82945659
2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide
CID 115879988
2-chloro-N-[(2R)-octan-2-yl]acetamide
CID 7131842
N-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide
CID 115283404
N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 83176839
N-(4-hydroxybutan-2-yl)acetamide
CID 20609978
2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089686

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide (CID 155389000) is 2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide is C[C@@H](CCO)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide?
The InChIKey is RBCNJTMLUGCDMJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12ClNO2/c1-5(2-3-9)8-6(10)4-7/h5,9H,2-4H2,1H3,(H,8,10)/t5-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide?
2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide has a molecular weight of 165.62 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 155389000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).