N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide

C15H13N3O5 — CID 46413108

IUPACN-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
SMILESCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O5/c1-16(10-11-6-2-4-8-13(11)17(20)21)15(19)12-7-3-5-9-14(12)18(22)23/h2-9H,10H2,1H3
InChIKeyHKJJBPMSZVJVNY-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.78
Rot. Bonds5

About N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide

N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide (PubChem CID 46413108) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
PubChem CID46413108
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC NameN-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
SMILESCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O5/c1-16(10-11-6-2-4-8-13(11)17(20)21)15(19)12-7-3-5-9-14(12)18(22)23/h2-9H,10H2,1H3
InChIKeyHKJJBPMSZVJVNY-UHFFFAOYSA-N
XLogP2.78
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
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

3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide
CID 115645822
5-acetyl-N-methyl-N-[(2-nitrophenyl)methyl]thiophene-2-carboxamide
CID 46399191
2-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-[(2-nitrophenyl)methyl]thiophene-3-carboxamide
CID 112820581
N,5-dimethyl-N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46399431
N-methyl-N-[(2-nitrophenyl)methyl]but-2-enamide
CID 112726699
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2-nitrobenzamide
CID 19452047
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-nitrobenzamide
CID 19458164
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
CID 39142258
5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide
CID 63858698
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitrobenzamide
CID 18111557
4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
CID 46412770
2-(2-methoxyanilino)-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide
CID 46412912

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide?
The IUPAC name of N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide (CID 46413108) is N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide.
What is the SMILES notation for N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide?
The canonical SMILES for N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide is CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide?
The InChIKey is HKJJBPMSZVJVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-16(10-11-6-2-4-8-13(11)17(20)21)15(19)12-7-3-5-9-14(12)18(22)23/h2-9H,10H2,1H3.
What are the key properties of N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide?
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide has a molecular weight of 315.29 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide is sourced from PubChem (CID 46413108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).