3-chloro-N-cyclopropyl-N,2-dimethylpropanamide

C8H14ClNO — CID 62729219

IUPAC3-chloro-N-cyclopropyl-N,2-dimethylpropanamide
SMILESCC(CCl)C(=O)N(C)C1CC1
InChIInChI=1S/C8H14ClNO/c1-6(5-9)8(11)10(2)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyQMVBBNKJIUCITQ-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.48
Rot. Bonds3

About 3-chloro-N-cyclopropyl-N,2-dimethylpropanamide

3-chloro-N-cyclopropyl-N,2-dimethylpropanamide (PubChem CID 62729219) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N,2-dimethylpropanamide
PubChem CID62729219
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name3-chloro-N-cyclopropyl-N,2-dimethylpropanamide
SMILESCC(CCl)C(=O)N(C)C1CC1
InChIInChI=1S/C8H14ClNO/c1-6(5-9)8(11)10(2)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyQMVBBNKJIUCITQ-UHFFFAOYSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-N-cyclopropyl-N,2-dimethylpropanamide 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

3-chloro-N,2-dimethyl-N-(thiolan-3-yl)propanamide
CID 62726788
3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82734199
3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide
CID 62728154
3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 62726840
4-amino-N-cyclopentyl-N,2-dimethylbutanamide
CID 80542011
N-cyclopropyl-2-methoxy-N-methylpropanamide
CID 115593382
N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide
CID 107022355
4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103495905
N-cyclopropyl-N-methyl-2-(methylamino)propanamide
CID 62637829
4-amino-N-cyclohexyl-N,2-dimethylbutanamide
CID 80542163
N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
CID 55110663
N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride
CID 119841952

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-cyclopropyl-N,2-dimethylpropanamide (CID 62729219) is 3-chloro-N-cyclopropyl-N,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-N,2-dimethylpropanamide is CC(CCl)C(=O)N(C)C1CC1.
What is the InChIKey of 3-chloro-N-cyclopropyl-N,2-dimethylpropanamide?
The InChIKey is QMVBBNKJIUCITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-6(5-9)8(11)10(2)7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-chloro-N-cyclopropyl-N,2-dimethylpropanamide?
3-chloro-N-cyclopropyl-N,2-dimethylpropanamide has a molecular weight of 175.66 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-N,2-dimethylpropanamide is sourced from PubChem (CID 62729219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).