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

C16H20N2O — CID 11920013

IUPAC3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H20N2O/c1-11-5-3-8-15(12(11)2)18-16(19)14-7-4-6-13(9-14)10-17/h4,6-7,9,11-12,15H,3,5,8H2,1-2H3,(H,18,19)/t11-,12-,15-/m1/s1
InChIKeyBFASONIKWMNDHB-LALPHHSUSA-N
MW256.35 g/mol
LogP3.11
Rot. Bonds2

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

3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide (PubChem CID 11920013) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
PubChem CID11920013
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H20N2O/c1-11-5-3-8-15(12(11)2)18-16(19)14-7-4-6-13(9-14)10-17/h4,6-7,9,11-12,15H,3,5,8H2,1-2H3,(H,18,19)/t11-,12-,15-/m1/s1
InChIKeyBFASONIKWMNDHB-LALPHHSUSA-N
XLogP3.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404837
3-cyano-N-(2-methoxycyclopentyl)benzamide
CID 62088957
[(2R)-1-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3-cyanobenzoate
CID 11928588
3-acetamido-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzamide
CID 6598954
3-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82728473
3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
CID 11920330
(2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11929296
3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066723
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide
CID 64921078
3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide
CID 103221060
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide?
The IUPAC name of 3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide (CID 11920013) is 3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide?
The canonical SMILES for 3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide is C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide?
The InChIKey is BFASONIKWMNDHB-LALPHHSUSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-5-3-8-15(12(11)2)18-16(19)14-7-4-6-13(9-14)10-17/h4,6-7,9,11-12,15H,3,5,8H2,1-2H3,(H,18,19)/t11-,12-,15-/m1/s1.
What are the key properties of 3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide?
3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide has a molecular weight of 256.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide is sourced from PubChem (CID 11920013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).