N-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide

C12H22ClNO — CID 107184388

IUPACN-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NC(C)(C)CCCl
InChIInChI=1S/C12H22ClNO/c1-9-5-4-6-10(9)11(15)14-12(2,3)7-8-13/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyUDRXIQCZYHTEAJ-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.95
Rot. Bonds4

About N-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide

N-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide (PubChem CID 107184388) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide
PubChem CID107184388
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC NameN-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NC(C)(C)CCCl
InChIInChI=1S/C12H22ClNO/c1-9-5-4-6-10(9)11(15)14-12(2,3)7-8-13/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyUDRXIQCZYHTEAJ-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.95
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

2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175190
N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide
CID 107180771
N-(4-hydroxy-2-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 115870127
N-(4-hydroxy-2-methylbutan-2-yl)cyclobutanecarboxamide
CID 115869890
N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide
CID 106168508
2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43529282
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide
CID 107184243
cis-(1S,2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143706762
2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid
CID 107175398
2-[(2-methylcyclopentanecarbonyl)amino]acetic acid
CID 107175041
ethane;(1R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143679818
4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide
CID 115747606

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide (CID 107184388) is N-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)NC(C)(C)CCCl.
What is the InChIKey of N-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide?
The InChIKey is UDRXIQCZYHTEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-9-5-4-6-10(9)11(15)14-12(2,3)7-8-13/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide?
N-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide has a molecular weight of 231.77 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutan-2-yl)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107184388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).