N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide

C14H18N2O5 — CID 104927344

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H18N2O5/c1-21-13-7-6-9(16(19)20)8-10(13)14(18)15-11-4-2-3-5-12(11)17/h6-8,11-12,17H,2-5H2,1H3,(H,15,18)/t11-,12-/m1/s1
InChIKeyFESHTNWSWAUSDS-VXGBXAGGSA-N
MW294.31 g/mol
LogP1.64
Rot. Bonds4

About N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide

N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide (PubChem CID 104927344) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide
PubChem CID104927344
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H18N2O5/c1-21-13-7-6-9(16(19)20)8-10(13)14(18)15-11-4-2-3-5-12(11)17/h6-8,11-12,17H,2-5H2,1H3,(H,15,18)/t11-,12-/m1/s1
InChIKeyFESHTNWSWAUSDS-VXGBXAGGSA-N
XLogP1.64
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide
CID 62361086
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide
CID 115880925
N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide
CID 106443909
N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride
CID 119591922
N-[(3R)-1-ethylpiperidin-1-ium-3-yl]-2-methoxy-5-nitrobenzamide
CID 6947735
2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide
CID 103297335
N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
CID 119605134
2-methoxy-5-nitrobenzoic acid;zinc
CID 67791241
N-(2-hydroxycyclohexyl)-2-(4-nitroanilino)benzamide
CID 16667132
2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
CID 62087506

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide (CID 104927344) is N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide is COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide?
The InChIKey is FESHTNWSWAUSDS-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-21-13-7-6-9(16(19)20)8-10(13)14(18)15-11-4-2-3-5-12(11)17/h6-8,11-12,17H,2-5H2,1H3,(H,15,18)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide has a molecular weight of 294.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 104927344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).