2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide

C15H20N2O4 — CID 102741652

IUPAC2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide
SMILESCC1CCCCC1CNC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C15H20N2O4/c1-10-5-2-3-6-11(10)9-16-15(19)12-7-4-8-13(14(12)18)17(20)21/h4,7-8,10-11,18H,2-3,5-6,9H2,1H3,(H,16,19)
InChIKeyUTVPBJYIPYSULY-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.86
Rot. Bonds4

About 2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide

2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide (PubChem CID 102741652) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide
PubChem CID102741652
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide
SMILESCC1CCCCC1CNC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C15H20N2O4/c1-10-5-2-3-6-11(10)9-16-15(19)12-7-4-8-13(14(12)18)17(20)21/h4,7-8,10-11,18H,2-3,5-6,9H2,1H3,(H,16,19)
InChIKeyUTVPBJYIPYSULY-UHFFFAOYSA-N
XLogP2.86
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide
CID 107420673
2-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-nitrobenzamide
CID 103800126
N-[(2-chlorocyclopentyl)methyl]-2-methyl-3-nitrobenzamide
CID 114303186
N-[(2-bromocyclohexyl)methyl]-2-nitrobenzamide
CID 114312172
2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide
CID 103800178
2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62660422
3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 112575789
2-fluoro-6-hydroxy-N-[(2-methylcyclohexyl)methyl]benzamide
CID 107015192
2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide
CID 107417795
2-hydroxy-3-nitro-N-prop-2-ynylbenzamide
CID 103746299
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 107420613
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107419522

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide?
The IUPAC name of 2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide (CID 102741652) is 2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide.
What is the SMILES notation for 2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide?
The canonical SMILES for 2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide is CC1CCCCC1CNC(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide?
The InChIKey is UTVPBJYIPYSULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-5-2-3-6-11(10)9-16-15(19)12-7-4-8-13(14(12)18)17(20)21/h4,7-8,10-11,18H,2-3,5-6,9H2,1H3,(H,16,19).
What are the key properties of 2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide?
2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide has a molecular weight of 292.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide is sourced from PubChem (CID 102741652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).