N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C18H26ClNO2 — CID 66761959

IUPACN-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(C)CCC2C(C)C)cc1Cl
InChIInChI=1S/C18H26ClNO2/c1-11(2)14-7-5-12(3)9-15(14)18(21)20-13-6-8-17(22-4)16(19)10-13/h6,8,10-12,14-15H,5,7,9H2,1-4H3,(H,20,21)
InChIKeyWLSJMAAFTFNFTP-UHFFFAOYSA-N
MW323.86 g/mol
LogP5.00
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 66761959) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID66761959
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(C)CCC2C(C)C)cc1Cl
InChIInChI=1S/C18H26ClNO2/c1-11(2)14-7-5-12(3)9-15(14)18(21)20-13-6-8-17(22-4)16(19)10-13/h6,8,10-12,14-15H,5,7,9H2,1-4H3,(H,20,21)
InChIKeyWLSJMAAFTFNFTP-UHFFFAOYSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 50906370
3-chloro-4-methoxy-N-(5-methyl-2-propan-2-ylcyclohexyl)aniline
CID 43099443
1-N-(3-chloro-4-methoxyphenyl)-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142934
1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130939
1-N-(3-chloro-4-methoxyphenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143254
N-(3-chloro-4-methoxyphenyl)thiane-4-carboxamide
CID 110859512
1-N-(3-chloro-4-methoxyphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143261
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430884
(1R,2S,5R)-N-(2-chloro-4-cyanophenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 67477166
2-N-(3-chloro-4-methoxyphenyl)-1-N-(3-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143267
N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide
CID 110859499
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 66761959) is N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is COc1ccc(NC(=O)C2CC(C)CCC2C(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is WLSJMAAFTFNFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO2/c1-11(2)14-7-5-12(3)9-15(14)18(21)20-13-6-8-17(22-4)16(19)10-13/h6,8,10-12,14-15H,5,7,9H2,1-4H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 323.86 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 66761959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).