2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide

C12H14N2O5 — CID 99716959

IUPAC2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide
SMILESCN(C(=O)c1cccc([N+](=O)[O-])c1O)[C@H]1CCOC1
InChIInChI=1S/C12H14N2O5/c1-13(8-5-6-19-7-8)12(16)9-3-2-4-10(11(9)15)14(17)18/h2-4,8,15H,5-7H2,1H3/t8-/m0/s1
InChIKeyQXNSLZVGVIYFJT-QMMMGPOBSA-N
MW266.25 g/mol
LogP1.16
Rot. Bonds3

About 2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide

2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide (PubChem CID 99716959) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide
PubChem CID99716959
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide
SMILESCN(C(=O)c1cccc([N+](=O)[O-])c1O)[C@H]1CCOC1
InChIInChI=1S/C12H14N2O5/c1-13(8-5-6-19-7-8)12(16)9-3-2-4-10(11(9)15)14(17)18/h2-4,8,15H,5-7H2,1H3/t8-/m0/s1
InChIKeyQXNSLZVGVIYFJT-QMMMGPOBSA-N
XLogP1.16
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
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

4,5-difluoro-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 78997229
5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 82743903
N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-hydroxy-N-methyl-3-nitrobenzamide
CID 99706441
3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 113386399
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 79208597
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737720
2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide
CID 112576264
[(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone
CID 97099708
2-[methyl(oxan-4-yl)amino]-3-nitrobenzoic acid
CID 115932196
2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 79885803

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide?
The IUPAC name of 2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide (CID 99716959) is 2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide.
What is the SMILES notation for 2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide?
The canonical SMILES for 2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide is CN(C(=O)c1cccc([N+](=O)[O-])c1O)[C@H]1CCOC1.
What is the InChIKey of 2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide?
The InChIKey is QXNSLZVGVIYFJT-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-13(8-5-6-19-7-8)12(16)9-3-2-4-10(11(9)15)14(17)18/h2-4,8,15H,5-7H2,1H3/t8-/m0/s1.
What are the key properties of 2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide?
2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide has a molecular weight of 266.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide is sourced from PubChem (CID 99716959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).