N-(2-chloroethyl)-N-cyclohexylcyclopentanecarboxamide

C14H24ClNO — CID 55186458

IUPACN-(2-chloroethyl)-N-cyclohexylcyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(CCCl)C1CCCCC1
InChIInChI=1S/C14H24ClNO/c15-10-11-16(13-8-2-1-3-9-13)14(17)12-6-4-5-7-12/h12-13H,1-11H2
InChIKeyNTJAPNWXICQRKC-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.58
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclohexylcyclopentanecarboxamide

N-(2-chloroethyl)-N-cyclohexylcyclopentanecarboxamide (PubChem CID 55186458) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexylcyclopentanecarboxamide
PubChem CID55186458
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC NameN-(2-chloroethyl)-N-cyclohexylcyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(CCCl)C1CCCCC1
InChIInChI=1S/C14H24ClNO/c15-10-11-16(13-8-2-1-3-9-13)14(17)12-6-4-5-7-12/h12-13H,1-11H2
InChIKeyNTJAPNWXICQRKC-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexylcyclopentanecarboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexylcyclopentanecarboxamide (CID 55186458) is N-(2-chloroethyl)-N-cyclohexylcyclopentanecarboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexylcyclopentanecarboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexylcyclopentanecarboxamide is O=C(C1CCCC1)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexylcyclopentanecarboxamide?
The InChIKey is NTJAPNWXICQRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c15-10-11-16(13-8-2-1-3-9-13)14(17)12-6-4-5-7-12/h12-13H,1-11H2.
What are the key properties of N-(2-chloroethyl)-N-cyclohexylcyclopentanecarboxamide?
N-(2-chloroethyl)-N-cyclohexylcyclopentanecarboxamide has a molecular weight of 257.80 g/mol, XLogP of 3.58, 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-cyclohexylcyclopentanecarboxamide is sourced from PubChem (CID 55186458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).