N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide

C13H24ClNO — CID 63396070

IUPACN-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide
SMILESCCC(CC)N(CCCl)C(=O)C1CCCC1
InChIInChI=1S/C13H24ClNO/c1-3-12(4-2)15(10-9-14)13(16)11-7-5-6-8-11/h11-12H,3-10H2,1-2H3
InChIKeyWLNZAHWRQIMFIF-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.43
Rot. Bonds6

About N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide

N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide (PubChem CID 63396070) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide
PubChem CID63396070
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC NameN-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide
SMILESCCC(CC)N(CCCl)C(=O)C1CCCC1
InChIInChI=1S/C13H24ClNO/c1-3-12(4-2)15(10-9-14)13(16)11-7-5-6-8-11/h11-12H,3-10H2,1-2H3
InChIKeyWLNZAHWRQIMFIF-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.43
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-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide
CID 114459017
N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65021157
N-(2-chloroethyl)-2-methyl-N-pentan-3-ylpropanamide
CID 63397927
N-(2-chloroethyl)-N-propylcyclohexanecarboxamide
CID 63393390
N-(2-aminoethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 28707843
N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65023347
N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
CID 55187406
N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide
CID 102872561
N-(1-chloropropan-2-yl)-N-methylcyclooctanecarboxamide
CID 104555564
3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 82324204
N-butan-2-yl-N-methylcyclohexanecarboxamide
CID 153425265
N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide
CID 63391533

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide?
The IUPAC name of N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide (CID 63396070) is N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide is CCC(CC)N(CCCl)C(=O)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide?
The InChIKey is WLNZAHWRQIMFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-3-12(4-2)15(10-9-14)13(16)11-7-5-6-8-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide?
N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide has a molecular weight of 245.79 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide is sourced from PubChem (CID 63396070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).