N-[(1R,2R)-2-cyanocyclohexyl]benzamide

C14H16N2O — CID 10656966

IUPACN-[(1R,2R)-2-cyanocyclohexyl]benzamide
SMILESN#C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1
InChIInChI=1S/C14H16N2O/c15-10-12-8-4-5-9-13(12)16-14(17)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-9H2,(H,16,17)/t12-,13+/m0/s1
InChIKeyRWEFRCCKBNLQSX-QWHCGFSZSA-N
MW228.30 g/mol
LogP2.50
Rot. Bonds2

About N-[(1R,2R)-2-cyanocyclohexyl]benzamide

N-[(1R,2R)-2-cyanocyclohexyl]benzamide (PubChem CID 10656966) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[(1R,2R)-2-cyanocyclohexyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-cyanocyclohexyl]benzamide
PubChem CID10656966
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-[(1R,2R)-2-cyanocyclohexyl]benzamide
SMILESN#C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1
InChIInChI=1S/C14H16N2O/c15-10-12-8-4-5-9-13(12)16-14(17)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-9H2,(H,16,17)/t12-,13+/m0/s1
InChIKeyRWEFRCCKBNLQSX-QWHCGFSZSA-N
XLogP2.50
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R)-2-cyanocyclohexyl]carbamic acid
CID 89240043
3,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 62961800
3,5-dibromo-N-(2-cyanocyclopentyl)benzamide
CID 103908948
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide
CID 62962185
benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate
CID 23636183
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-cyanocyclohexyl]benzamide?
The IUPAC name of N-[(1R,2R)-2-cyanocyclohexyl]benzamide (CID 10656966) is N-[(1R,2R)-2-cyanocyclohexyl]benzamide.
What is the SMILES notation for N-[(1R,2R)-2-cyanocyclohexyl]benzamide?
The canonical SMILES for N-[(1R,2R)-2-cyanocyclohexyl]benzamide is N#C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-cyanocyclohexyl]benzamide?
The InChIKey is RWEFRCCKBNLQSX-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H16N2O/c15-10-12-8-4-5-9-13(12)16-14(17)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-9H2,(H,16,17)/t12-,13+/m0/s1.
What are the key properties of N-[(1R,2R)-2-cyanocyclohexyl]benzamide?
N-[(1R,2R)-2-cyanocyclohexyl]benzamide has a molecular weight of 228.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-cyanocyclohexyl]benzamide is sourced from PubChem (CID 10656966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).