N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide

C13H24ClNO — CID 107184110

IUPACN-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(CCCl)CNC(=O)C1CCCC1(C)C
InChIInChI=1S/C13H24ClNO/c1-10(6-8-14)9-15-12(16)11-5-4-7-13(11,2)3/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyJZERKEHIGADOFJ-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.19
Rot. Bonds5

About N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide

N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107184110) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107184110
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC NameN-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(CCCl)CNC(=O)C1CCCC1(C)C
InChIInChI=1S/C13H24ClNO/c1-10(6-8-14)9-15-12(16)11-5-4-7-13(11,2)3/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyJZERKEHIGADOFJ-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.19
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-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918370
N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 106117575
N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104919622
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184438
N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107184547
N-(3-chloropropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179984
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184226
N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180369
N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180430
N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184249
3-[(2,2-dimethylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid
CID 107175424
N-[[4-(chloromethyl)phenyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107233411

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 107184110) is N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide is CC(CCCl)CNC(=O)C1CCCC1(C)C.
What is the InChIKey of N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is JZERKEHIGADOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-10(6-8-14)9-15-12(16)11-5-4-7-13(11,2)3/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 245.79 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107184110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).