N-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide

C14H24ClNO — CID 106828990

IUPACN-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NC2CCC(Cl)CC2)CCCCC1
InChIInChI=1S/C14H24ClNO/c1-14(9-3-2-4-10-14)13(17)16-12-7-5-11(15)6-8-12/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyNJPUUDYIUZHVFQ-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.62
Rot. Bonds2

About N-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide

N-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106828990) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide
PubChem CID106828990
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC NameN-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NC2CCC(Cl)CC2)CCCCC1
InChIInChI=1S/C14H24ClNO/c1-14(9-3-2-4-10-14)13(17)16-12-7-5-11(15)6-8-12/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyNJPUUDYIUZHVFQ-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.62
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-cyclohexyl-1-methylcyclopropane-1-carboxamide
CID 130162659
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide
CID 127795927
1-methyl-N-[(3R)-piperidin-3-yl]cyclopentane-1-carboxamide
CID 104645453
1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 166176322
2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid
CID 165449455
8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029398
1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide
CID 134355563
1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide
CID 149031374
tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate
CID 126454930
1-methyl-N-(6-oxopiperidin-3-yl)cyclopentane-1-carboxamide
CID 78953464
N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide
CID 63123013

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide (CID 106828990) is N-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)NC2CCC(Cl)CC2)CCCCC1.
What is the InChIKey of N-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is NJPUUDYIUZHVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c1-14(9-3-2-4-10-14)13(17)16-12-7-5-11(15)6-8-12/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of N-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide?
N-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 257.80 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106828990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).