N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide

C12H20ClNO — CID 107183874

IUPACN-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)N(CCCl)C1CC1
InChIInChI=1S/C12H20ClNO/c1-9-3-2-4-11(9)12(15)14(8-7-13)10-5-6-10/h9-11H,2-8H2,1H3
InChIKeyWIJFKGSCQQXVHP-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.65
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide

N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide (PubChem CID 107183874) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide
PubChem CID107183874
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC NameN-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)N(CCCl)C1CC1
InChIInChI=1S/C12H20ClNO/c1-9-3-2-4-11(9)12(15)14(8-7-13)10-5-6-10/h9-11H,2-8H2,1H3
InChIKeyWIJFKGSCQQXVHP-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-cyclobutyl-2-methylcyclopentane-1-carboxamide
CID 107184819
N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 107183830
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-N-propylcyclopentane-1-carboxamide
CID 107180650
3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 107175271
N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
CID 55187406
N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide
CID 102872561
N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide
CID 102872552
N-(1-chloropropan-2-yl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107184308
2-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 102860862
N-ethyl-2-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 107176120
4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid
CID 107175150
3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 107175280

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide (CID 107183874) is N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)N(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide?
The InChIKey is WIJFKGSCQQXVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c1-9-3-2-4-11(9)12(15)14(8-7-13)10-5-6-10/h9-11H,2-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide?
N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide has a molecular weight of 229.75 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107183874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).