N-(2-chloroethyl)-N-cyclopentyl-2-ethylhexanamide

C15H28ClNO — CID 55186834

IUPACN-(2-chloroethyl)-N-cyclopentyl-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C15H28ClNO/c1-3-5-8-13(4-2)15(18)17(12-11-16)14-9-6-7-10-14/h13-14H,3-12H2,1-2H3
InChIKeyPVUQJKGULFDOFM-UHFFFAOYSA-N
MW273.85 g/mol
LogP4.21
Rot. Bonds8

About N-(2-chloroethyl)-N-cyclopentyl-2-ethylhexanamide

N-(2-chloroethyl)-N-cyclopentyl-2-ethylhexanamide (PubChem CID 55186834) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-2-ethylhexanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-2-ethylhexanamide
PubChem CID55186834
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C15H28ClNO/c1-3-5-8-13(4-2)15(18)17(12-11-16)14-9-6-7-10-14/h13-14H,3-12H2,1-2H3
InChIKeyPVUQJKGULFDOFM-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 54.21
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-cyclopentyl-2-ethylhexanamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-2-ethylhexanamide (CID 55186834) is N-(2-chloroethyl)-N-cyclopentyl-2-ethylhexanamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-2-ethylhexanamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-2-ethylhexanamide is CCCCC(CC)C(=O)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-2-ethylhexanamide?
The InChIKey is PVUQJKGULFDOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-3-5-8-13(4-2)15(18)17(12-11-16)14-9-6-7-10-14/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-2-ethylhexanamide?
N-(2-chloroethyl)-N-cyclopentyl-2-ethylhexanamide has a molecular weight of 273.85 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentyl-2-ethylhexanamide is sourced from PubChem (CID 55186834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).