2-chloro-N-(1-cyanoethyl)-N-ethylacetamide

C7H11ClN2O — CID 142261957

IUPAC2-chloro-N-(1-cyanoethyl)-N-ethylacetamide
SMILESCCN(C(=O)CCl)C(C)C#N
InChIInChI=1S/C7H11ClN2O/c1-3-10(6(2)5-9)7(11)4-8/h6H,3-4H2,1-2H3
InChIKeyZIMVJLRFEDVPMX-UHFFFAOYSA-N
MW174.63 g/mol
LogP0.99
Rot. Bonds3

About 2-chloro-N-(1-cyanoethyl)-N-ethylacetamide

2-chloro-N-(1-cyanoethyl)-N-ethylacetamide (PubChem CID 142261957) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 2-chloro-N-(1-cyanoethyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyanoethyl)-N-ethylacetamide
PubChem CID142261957
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name2-chloro-N-(1-cyanoethyl)-N-ethylacetamide
SMILESCCN(C(=O)CCl)C(C)C#N
InChIInChI=1S/C7H11ClN2O/c1-3-10(6(2)5-9)7(11)4-8/h6H,3-4H2,1-2H3
InChIKeyZIMVJLRFEDVPMX-UHFFFAOYSA-N
XLogP0.99
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(1-cyanoethyl)-N-ethylacetamide 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,N-bis(propan-2-yl)acetamide
CID 139013
2-chloro-N,N-bis(2-cyanoethyl)acetamide
CID 2386163
2-chloro-N-methyl-N-(propan-2-yl)acetamide
CID 8899730
2-chloro-N-(2-cyanoethyl)-N-methylpropanamide
CID 43176454
2-chloro-N-(2-cyanoethyl)-N-ethylacetamide
CID 54592479
2-Chloro-N-methyl-N-(1-methylpropyl)acetamide
CID 43247568
2-chloro-N-(2-cyanoethyl)-N-methylacetamide
CID 2386041
2-chloro-N-methyl-N-(propan-2-yl)propanamide
CID 16781557
2,2-dichloro-N-methyl-N-propan-2-ylacetamide
CID 20213166
2,2-dichloro-N-(1-cyanoethyl)-N-propylacetamide
CID 21403873
2-chloro-N-(1-cyano-1-methylethyl)-N-methylacetamide
CID 45791352
2-chloro-N-(2-cyano-2-methylethyl)-N-ethylacetamide
CID 54592490

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyanoethyl)-N-ethylacetamide?
The IUPAC name of 2-chloro-N-(1-cyanoethyl)-N-ethylacetamide (CID 142261957) is 2-chloro-N-(1-cyanoethyl)-N-ethylacetamide.
What is the SMILES notation for 2-chloro-N-(1-cyanoethyl)-N-ethylacetamide?
The canonical SMILES for 2-chloro-N-(1-cyanoethyl)-N-ethylacetamide is CCN(C(=O)CCl)C(C)C#N.
What is the InChIKey of 2-chloro-N-(1-cyanoethyl)-N-ethylacetamide?
The InChIKey is ZIMVJLRFEDVPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-3-10(6(2)5-9)7(11)4-8/h6H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N-(1-cyanoethyl)-N-ethylacetamide?
2-chloro-N-(1-cyanoethyl)-N-ethylacetamide has a molecular weight of 174.63 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyanoethyl)-N-ethylacetamide is sourced from PubChem (CID 142261957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).