2-methoxy-6-nitro-N-prop-2-enylbenzamide

C11H12N2O4 — CID 81420346

IUPAC2-methoxy-6-nitro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1c(OC)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H12N2O4/c1-3-7-12-11(14)10-8(13(15)16)5-4-6-9(10)17-2/h3-6H,1,7H2,2H3,(H,12,14)
InChIKeyNYORBEFULKXIJH-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.52
Rot. Bonds5

About 2-methoxy-6-nitro-N-prop-2-enylbenzamide

2-methoxy-6-nitro-N-prop-2-enylbenzamide (PubChem CID 81420346) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-methoxy-6-nitro-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-methoxy-6-nitro-N-prop-2-enylbenzamide
PubChem CID81420346
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-methoxy-6-nitro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1c(OC)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H12N2O4/c1-3-7-12-11(14)10-8(13(15)16)5-4-6-9(10)17-2/h3-6H,1,7H2,2H3,(H,12,14)
InChIKeyNYORBEFULKXIJH-UHFFFAOYSA-N
XLogP1.52
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide
CID 83058004
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxy-6-nitrobenzamide
CID 106168769
(2S)-2-hydroxy-4-[(2-methoxy-6-nitrobenzoyl)amino]butanoic acid
CID 107834695
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-6-nitrobenzamide
CID 81414526
N-(2-hydroxy-2-methylpentyl)-2-methoxy-6-nitrobenzamide
CID 106290157
2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385156
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-6-nitrobenzamide
CID 81413714
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 81414361
(2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide
CID 9205576
methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate
CID 81414362

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-nitro-N-prop-2-enylbenzamide?
The IUPAC name of 2-methoxy-6-nitro-N-prop-2-enylbenzamide (CID 81420346) is 2-methoxy-6-nitro-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-methoxy-6-nitro-N-prop-2-enylbenzamide?
The canonical SMILES for 2-methoxy-6-nitro-N-prop-2-enylbenzamide is C=CCNC(=O)c1c(OC)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methoxy-6-nitro-N-prop-2-enylbenzamide?
The InChIKey is NYORBEFULKXIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-3-7-12-11(14)10-8(13(15)16)5-4-6-9(10)17-2/h3-6H,1,7H2,2H3,(H,12,14).
What are the key properties of 2-methoxy-6-nitro-N-prop-2-enylbenzamide?
2-methoxy-6-nitro-N-prop-2-enylbenzamide has a molecular weight of 236.23 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-nitro-N-prop-2-enylbenzamide is sourced from PubChem (CID 81420346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).