2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide

C6H12ClNO2 — CID 65034129

IUPAC2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCC(CO)CNC(=O)CCl
InChIInChI=1S/C6H12ClNO2/c1-5(4-9)3-8-6(10)2-7/h5,9H,2-4H2,1H3,(H,8,10)
InChIKeyRXHAUPDVWULFDO-UHFFFAOYSA-N
MW165.62 g/mol
LogP-0.03
Rot. Bonds4

About 2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide

2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide (PubChem CID 65034129) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide
PubChem CID65034129
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCC(CO)CNC(=O)CCl
InChIInChI=1S/C6H12ClNO2/c1-5(4-9)3-8-6(10)2-7/h5,9H,2-4H2,1H3,(H,8,10)
InChIKeyRXHAUPDVWULFDO-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3-hydroxy-2-methylpropyl)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-(4-hydroxy-2-methylbutyl)acetamide
CID 66089686
ethane;N-(3-hydroxy-2-methylpropyl)propanamide
CID 155720922
N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide
CID 65036532
3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031539
N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide
CID 65031917
N-(3-hydroxy-2-methylpropyl)pent-4-ynamide
CID 106741596
2-chloro-N-(2,2-difluoroethyl)acetamide
CID 115349396
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbutanamide;yttrium
CID 58776208
2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide
CID 82110387
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424
2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide
CID 130006525

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide (CID 65034129) is 2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide is CC(CO)CNC(=O)CCl.
What is the InChIKey of 2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide?
The InChIKey is RXHAUPDVWULFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2/c1-5(4-9)3-8-6(10)2-7/h5,9H,2-4H2,1H3,(H,8,10).
What are the key properties of 2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide?
2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide has a molecular weight of 165.62 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 65034129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).