N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide

C15H28ClNO — CID 113376732

IUPACN-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)NC(C)CC(C)Cl)CCCC1
InChIInChI=1S/C15H28ClNO/c1-11(2)10-15(7-5-6-8-15)14(18)17-13(4)9-12(3)16/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyYTXOVHPCDLDEEP-UHFFFAOYSA-N
MW273.85 g/mol
LogP4.11
Rot. Bonds6

About N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide

N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 113376732) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID113376732
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC NameN-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)NC(C)CC(C)Cl)CCCC1
InChIInChI=1S/C15H28ClNO/c1-11(2)10-15(7-5-6-8-15)14(18)17-13(4)9-12(3)16/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyYTXOVHPCDLDEEP-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 120504549
N-(1-bromo-4-methylpentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114311733
N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114390037
2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one
CID 58210371
(2R)-4-methyl-2-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 119363910
N-(1-chloro-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114155001
N-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 106183699
N-(2-bromo-4-methylpentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107157722
methyl 1-(2-methylpropyl)cyclohexane-1-carboxylate
CID 125474845
N-(2-chlorocyclopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 106443971
N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 103825192
N-[2-methyl-3-(methylamino)propyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 81479281

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide (CID 113376732) is N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CC1(C(=O)NC(C)CC(C)Cl)CCCC1.
What is the InChIKey of N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is YTXOVHPCDLDEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-11(2)10-15(7-5-6-8-15)14(18)17-13(4)9-12(3)16/h11-13H,5-10H2,1-4H3,(H,17,18).
What are the key properties of N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 273.85 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 113376732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).