4-methoxy-N-methyl-3-nitrobenzamide

C9H10N2O4 — CID 786944

IUPAC4-methoxy-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O4/c1-10-9(12)6-3-4-8(15-2)7(5-6)11(13)14/h3-5H,1-2H3,(H,10,12)
InChIKeySUAZPYJJKLOXQK-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.96
Rot. Bonds3

About 4-methoxy-N-methyl-3-nitrobenzamide

4-methoxy-N-methyl-3-nitrobenzamide (PubChem CID 786944) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 4-methoxy-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-3-nitrobenzamide
PubChem CID786944
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name4-methoxy-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O4/c1-10-9(12)6-3-4-8(15-2)7(5-6)11(13)14/h3-5H,1-2H3,(H,10,12)
InChIKeySUAZPYJJKLOXQK-UHFFFAOYSA-N
XLogP0.96
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
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 4-methoxy-N-methyl-3-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

4-methoxy-3-nitro-N-phenylbenzamide
CID 7331
3-Amino-4-methoxybenzanilide
CID 8426
3-Amino-4-methoxybenzamide
CID 87135
Benzamide, 4-methoxy-3-nitro-
CID 82603
N-[4-(benzyloxy)phenyl]-3-nitro-4-methoxybenzamide
CID 1219371
N-[4-(aminocarbonyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 874576
4-Methoxy-3-nitrobenzaldehyde
CID 700608
3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide
CID 127047651
4-methoxy-3-nitro-N-phenethylbenzamide
CID 823655
N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide
CID 2938629
4-methoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide
CID 2960624
4-methoxy-N-(morpholin-4-yl)-3-nitrobenzamide
CID 2970287

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-methoxy-N-methyl-3-nitrobenzamide (CID 786944) is 4-methoxy-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-methoxy-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-methoxy-N-methyl-3-nitrobenzamide is CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-N-methyl-3-nitrobenzamide?
The InChIKey is SUAZPYJJKLOXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-10-9(12)6-3-4-8(15-2)7(5-6)11(13)14/h3-5H,1-2H3,(H,10,12).
What are the key properties of 4-methoxy-N-methyl-3-nitrobenzamide?
4-methoxy-N-methyl-3-nitrobenzamide has a molecular weight of 210.19 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 786944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).