N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide

C14H18N2O4 — CID 62361086

IUPACN-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCC1O
InChIInChI=1S/C14H18N2O4/c1-9-6-7-10(16(19)20)8-11(9)14(18)15-12-4-2-3-5-13(12)17/h6-8,12-13,17H,2-5H2,1H3,(H,15,18)
InChIKeyUPWFWURBFJJYNN-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.94
Rot. Bonds3

About N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide

N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide (PubChem CID 62361086) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide
PubChem CID62361086
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCC1O
InChIInChI=1S/C14H18N2O4/c1-9-6-7-10(16(19)20)8-11(9)14(18)15-12-4-2-3-5-13(12)17/h6-8,12-13,17H,2-5H2,1H3,(H,15,18)
InChIKeyUPWFWURBFJJYNN-UHFFFAOYSA-N
XLogP1.94
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.94
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

N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide
CID 114189376
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide
CID 104927344
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide
CID 103751423
2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide
CID 103297335
2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride
CID 120577307
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide
CID 114301360
N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide
CID 95562447
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-5-nitrobenzamide;hydrochloride
CID 119455692
2-(2-methyl-4-nitroanilino)cyclohexan-1-ol
CID 62359446
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-nitrobenzamide
CID 104927193
N-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide
CID 16667132

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide (CID 62361086) is N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide is Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide?
The InChIKey is UPWFWURBFJJYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-6-7-10(16(19)20)8-11(9)14(18)15-12-4-2-3-5-13(12)17/h6-8,12-13,17H,2-5H2,1H3,(H,15,18).
What are the key properties of N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide?
N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide has a molecular weight of 278.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide is sourced from PubChem (CID 62361086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).