2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide

C11H12N2O5 — CID 81420832

IUPAC2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide
SMILESCOc1cccc([N+](=O)[O-])c1C(=O)NC1COC1
InChIInChI=1S/C11H12N2O5/c1-17-9-4-2-3-8(13(15)16)10(9)11(14)12-7-5-18-6-7/h2-4,7H,5-6H2,1H3,(H,12,14)
InChIKeyGVUXBIJVZSNPEE-UHFFFAOYSA-N
MW252.23 g/mol
LogP0.73
Rot. Bonds4

About 2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide

2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide (PubChem CID 81420832) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide
PubChem CID81420832
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide
SMILESCOc1cccc([N+](=O)[O-])c1C(=O)NC1COC1
InChIInChI=1S/C11H12N2O5/c1-17-9-4-2-3-8(13(15)16)10(9)11(14)12-7-5-18-6-7/h2-4,7H,5-6H2,1H3,(H,12,14)
InChIKeyGVUXBIJVZSNPEE-UHFFFAOYSA-N
XLogP0.73
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.73
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

N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide
CID 21102223
N-cyclopentyloxy-2-methoxy-6-nitrobenzamide
CID 83235493
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-6-nitrobenzamide
CID 81414526
2-methoxy-6-nitro-N-prop-2-enylbenzamide
CID 81420346
N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide
CID 83058004
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-6-nitrobenzamide
CID 81413714
(2S)-2-hydroxy-4-[(2-methoxy-6-nitrobenzoyl)amino]butanoic acid
CID 107834695
2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
CID 104620167
3-methoxy-2-[(2-methoxy-6-nitrobenzoyl)amino]propanoic acid
CID 81395438
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxy-6-nitrobenzamide
CID 106168769
2,6-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653176
2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 81414361

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide?
The IUPAC name of 2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide (CID 81420832) is 2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide.
What is the SMILES notation for 2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide?
The canonical SMILES for 2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide is COc1cccc([N+](=O)[O-])c1C(=O)NC1COC1.
What is the InChIKey of 2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide?
The InChIKey is GVUXBIJVZSNPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c1-17-9-4-2-3-8(13(15)16)10(9)11(14)12-7-5-18-6-7/h2-4,7H,5-6H2,1H3,(H,12,14).
What are the key properties of 2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide?
2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide has a molecular weight of 252.23 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide is sourced from PubChem (CID 81420832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).