2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide

C9H16ClNO — CID 66980142

IUPAC2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1CC1CCl
InChIInChI=1S/C9H16ClNO/c1-3-11(4-2)9(12)8-5-7(8)6-10/h7-8H,3-6H2,1-2H3
InChIKeyJMSMDYVPKGKACX-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.73
Rot. Bonds4

About 2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide

2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide (PubChem CID 66980142) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide
PubChem CID66980142
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1CC1CCl
InChIInChI=1S/C9H16ClNO/c1-3-11(4-2)9(12)8-5-7(8)6-10/h7-8H,3-6H2,1-2H3
InChIKeyJMSMDYVPKGKACX-UHFFFAOYSA-N
XLogP1.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide 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

trans-(1S,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide
CID 102327283
Hexanamide, N,N-dibutyl-6-chloro-
CID 533342
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-(3-methylbutyl)-
CID 91692659
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-isobutyl-
CID 91692672
Hexanamide, 6-chloro-N-ethyl-N-isobutyl-
CID 91693797
Hexanamide, 6-chloro-N-ethyl-N-3-methylbutyl-
CID 91693882
Hexanamide, 6-chloro-N,N-diethyl-
CID 91693890
Hexanamide, 6-chloro-N-ethyl-N-butyl-
CID 91693896
Hexanamide, 6-chloro-N-ethyl-N-propyl-
CID 91693897
Hexanamide, 6-chloro-N-ethyl-N-pentyl-
CID 91693912
Hexanamide, 6-chloro-N-ethyl-N-hexyl-
CID 91693924
Hexanamide, 6-chloro-N-ethyl-N-methyl-
CID 91701477

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide?
The IUPAC name of 2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide (CID 66980142) is 2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide is CCN(CC)C(=O)C1CC1CCl.
What is the InChIKey of 2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide?
The InChIKey is JMSMDYVPKGKACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-3-11(4-2)9(12)8-5-7(8)6-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide?
2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide has a molecular weight of 189.69 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide is sourced from PubChem (CID 66980142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).