2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide

C20H20N2O3 — CID 111825146

IUPAC2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide
SMILESN#Cc1ccccc1C(=O)Nc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C20H20N2O3/c21-13-14-5-1-2-6-17(14)20(24)22-15-9-11-16(12-10-15)25-19-8-4-3-7-18(19)23/h1-2,5-6,9-12,18-19,23H,3-4,7-8H2,(H,22,24)
InChIKeyUXNDOHOJNRKGGJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.49
Rot. Bonds4

About 2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide

2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide (PubChem CID 111825146) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide.

Molecular Properties

Compound Name2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide
PubChem CID111825146
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide
SMILESN#Cc1ccccc1C(=O)Nc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C20H20N2O3/c21-13-14-5-1-2-6-17(14)20(24)22-15-9-11-16(12-10-15)25-19-8-4-3-7-18(19)23/h1-2,5-6,9-12,18-19,23H,3-4,7-8H2,(H,22,24)
InChIKeyUXNDOHOJNRKGGJ-UHFFFAOYSA-N
XLogP3.49
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide
CID 111428764
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide
CID 111428790
N-[4-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 86974264
4-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732523
1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide
CID 110007275
2-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732456
N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 111428793
5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid
CID 120515766
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpropanamide
CID 119329332
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119329352
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 119329344
6-(furan-2-yl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpyridine-3-carboxamide
CID 102557570

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide?
The IUPAC name of 2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide (CID 111825146) is 2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide.
What is the SMILES notation for 2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide?
The canonical SMILES for 2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide is N#Cc1ccccc1C(=O)Nc1ccc(OC2CCCCC2O)cc1.
What is the InChIKey of 2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide?
The InChIKey is UXNDOHOJNRKGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c21-13-14-5-1-2-6-17(14)20(24)22-15-9-11-16(12-10-15)25-19-8-4-3-7-18(19)23/h1-2,5-6,9-12,18-19,23H,3-4,7-8H2,(H,22,24).
What are the key properties of 2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide?
2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide has a molecular weight of 336.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide is sourced from PubChem (CID 111825146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).