3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide

C15H18N2O — CID 9404837

IUPAC3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H18N2O/c1-11-5-2-3-8-14(11)17-15(18)13-7-4-6-12(9-13)10-16/h4,6-7,9,11,14H,2-3,5,8H2,1H3,(H,17,18)/t11-,14+/m1/s1
InChIKeyWYWJJYAYFGPSKA-RISCZKNCSA-N
MW242.32 g/mol
LogP2.87
Rot. Bonds2

About 3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide

3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide (PubChem CID 9404837) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide
PubChem CID9404837
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H18N2O/c1-11-5-2-3-8-14(11)17-15(18)13-7-4-6-12(9-13)10-16/h4,6-7,9,11,14H,2-3,5,8H2,1H3,(H,17,18)/t11-,14+/m1/s1
InChIKeyWYWJJYAYFGPSKA-RISCZKNCSA-N
XLogP2.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
CID 11920013
3-cyano-N-(2-methoxycyclopentyl)benzamide
CID 62088957
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
3-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82728473
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 51537876
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
3-(2-hydroxypropan-2-yl)-N-(2-methylcyclohexyl)benzamide
CID 110486141
3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide
CID 43333330
3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066723
2-[(3-cyanobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83210673
3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide
CID 104627390

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The IUPAC name of 3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide (CID 9404837) is 3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The canonical SMILES for 3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide is C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The InChIKey is WYWJJYAYFGPSKA-RISCZKNCSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-2-3-8-14(11)17-15(18)13-7-4-6-12(9-13)10-16/h4,6-7,9,11,14H,2-3,5,8H2,1H3,(H,17,18)/t11-,14+/m1/s1.
What are the key properties of 3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide has a molecular weight of 242.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 9404837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).