N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane

C17H26ClNO — CID 142985904

IUPACN-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane
SMILESCC1CCCC(C(=O)Nc2ccc(Cl)cc2)C1.CCC
InChIInChI=1S/C14H18ClNO.C3H8/c1-10-3-2-4-11(9-10)14(17)16-13-7-5-12(15)6-8-13;1-3-2/h5-8,10-11H,2-4,9H2,1H3,(H,16,17);3H2,1-2H3
InChIKeyXUNZXIUHVCKLHG-UHFFFAOYSA-N
MW295.85 g/mol
LogP5.52
Rot. Bonds2

About N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane

N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane (PubChem CID 142985904) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane
PubChem CID142985904
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane
SMILESCC1CCCC(C(=O)Nc2ccc(Cl)cc2)C1.CCC
InChIInChI=1S/C14H18ClNO.C3H8/c1-10-3-2-4-11(9-10)14(17)16-13-7-5-12(15)6-8-13;1-3-2/h5-8,10-11H,2-4,9H2,1H3,(H,16,17);3H2,1-2H3
InChIKeyXUNZXIUHVCKLHG-UHFFFAOYSA-N
XLogP5.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.85
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane
CID 144736513
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
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[4-[(3-methylcyclohexanecarbonyl)amino]phenyl] thiocyanate
CID 154972346
1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea
CID 3710204
N-(4-chlorophenyl)-3-hydroxycyclopentane-1-carboxamide
CID 141145341
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane
CID 176941389
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119747250
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane?
The IUPAC name of N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane (CID 142985904) is N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane.
What is the SMILES notation for N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane?
The canonical SMILES for N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane is CC1CCCC(C(=O)Nc2ccc(Cl)cc2)C1.CCC.
What is the InChIKey of N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane?
The InChIKey is XUNZXIUHVCKLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO.C3H8/c1-10-3-2-4-11(9-10)14(17)16-13-7-5-12(15)6-8-13;1-3-2/h5-8,10-11H,2-4,9H2,1H3,(H,16,17);3H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane?
N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane has a molecular weight of 295.85 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane is sourced from PubChem (CID 142985904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).