N-methoxy-N-methyl-2-nitrobenzamide

C9H10N2O4 — CID 4779158

IUPACN-methoxy-N-methyl-2-nitrobenzamide
SMILESCON(C)C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O4/c1-10(15-2)9(12)7-5-3-4-6-8(7)11(13)14/h3-6H,1-2H3
InChIKeySQMIOPIJBOZJRM-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.23
Rot. Bonds3

About N-methoxy-N-methyl-2-nitrobenzamide

N-methoxy-N-methyl-2-nitrobenzamide (PubChem CID 4779158) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-nitrobenzamide
PubChem CID4779158
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC NameN-methoxy-N-methyl-2-nitrobenzamide
SMILESCON(C)C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O4/c1-10(15-2)9(12)7-5-3-4-6-8(7)11(13)14/h3-6H,1-2H3
InChIKeySQMIOPIJBOZJRM-UHFFFAOYSA-N
XLogP1.23
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
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'}

Analyze N-methoxy-N-methyl-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
(2-nitrobenzoyl) 2-nitrobenzoate
CID 548654
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitrobenzamide
CID 18111557
benzene;2-nitrobenzoic acid
CID 19891435
N-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide
CID 60606388
N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide
CID 47266467
tert-butyl 2-nitrobenzoate;ethane
CID 142865512
methyl 2-(2-nitrobenzoyl)benzoate
CID 174908464
N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide
CID 18129571
ethane;methane;1-(2-nitrophenyl)ethanone
CID 161143607

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-nitrobenzamide?
The IUPAC name of N-methoxy-N-methyl-2-nitrobenzamide (CID 4779158) is N-methoxy-N-methyl-2-nitrobenzamide.
What is the SMILES notation for N-methoxy-N-methyl-2-nitrobenzamide?
The canonical SMILES for N-methoxy-N-methyl-2-nitrobenzamide is CON(C)C(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-methoxy-N-methyl-2-nitrobenzamide?
The InChIKey is SQMIOPIJBOZJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-10(15-2)9(12)7-5-3-4-6-8(7)11(13)14/h3-6H,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-nitrobenzamide?
N-methoxy-N-methyl-2-nitrobenzamide has a molecular weight of 210.19 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 4779158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).