N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide

C13H24ClNO — CID 114305869

IUPACN-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)NC(C)CCCCl)CCCC1
InChIInChI=1S/C13H24ClNO/c1-3-13(8-4-5-9-13)12(16)15-11(2)7-6-10-14/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyKYWWINQEFSCFFU-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.48
Rot. Bonds6

About N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide

N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide (PubChem CID 114305869) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide
PubChem CID114305869
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC NameN-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)NC(C)CCCCl)CCCC1
InChIInChI=1S/C13H24ClNO/c1-3-13(8-4-5-9-13)12(16)15-11(2)7-6-10-14/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyKYWWINQEFSCFFU-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.48
H-Bond Donors ≤ 51
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-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide?
The IUPAC name of N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide (CID 114305869) is N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide is CCC1(C(=O)NC(C)CCCCl)CCCC1.
What is the InChIKey of N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide?
The InChIKey is KYWWINQEFSCFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-3-13(8-4-5-9-13)12(16)15-11(2)7-6-10-14/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide?
N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide has a molecular weight of 245.79 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 114305869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).