N-(2,4-dinitrophenyl)-3-nitrobenzamide

C13H8N4O7 — CID 3427628

IUPACN-(2,4-dinitrophenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H8N4O7/c18-13(8-2-1-3-9(6-8)15(19)20)14-11-5-4-10(16(21)22)7-12(11)17(23)24/h1-7H,(H,14,18)
InChIKeyOENFXEGJDBJDHP-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.66
Rot. Bonds5

About N-(2,4-dinitrophenyl)-3-nitrobenzamide

N-(2,4-dinitrophenyl)-3-nitrobenzamide (PubChem CID 3427628) has the molecular formula C13H8N4O7 and a molecular weight of 332.23 g/mol. Its IUPAC name is N-(2,4-dinitrophenyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2,4-dinitrophenyl)-3-nitrobenzamide
PubChem CID3427628
Molecular FormulaC13H8N4O7
Molecular Weight332.23 g/mol
Exact Mass332.04
IUPAC NameN-(2,4-dinitrophenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H8N4O7/c18-13(8-2-1-3-9(6-8)15(19)20)14-11-5-4-10(16(21)22)7-12(11)17(23)24/h1-7H,(H,14,18)
InChIKeyOENFXEGJDBJDHP-UHFFFAOYSA-N
XLogP2.66
TPSA158.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-[4-[(2,4-dinitrophenyl)carbamoyl]phenyl]-3-methylbenzamide
CID 5152612
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
3-(2,4-dinitroanilino)-N-(2-methylphenyl)benzamide
CID 3098044
N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide
CID 4674199
(2,4-dinitrophenyl)carbamic acid
CID 154114547
6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 102437083
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
CID 22668935

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dinitrophenyl)-3-nitrobenzamide?
The IUPAC name of N-(2,4-dinitrophenyl)-3-nitrobenzamide (CID 3427628) is N-(2,4-dinitrophenyl)-3-nitrobenzamide.
What is the SMILES notation for N-(2,4-dinitrophenyl)-3-nitrobenzamide?
The canonical SMILES for N-(2,4-dinitrophenyl)-3-nitrobenzamide is O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2,4-dinitrophenyl)-3-nitrobenzamide?
The InChIKey is OENFXEGJDBJDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O7/c18-13(8-2-1-3-9(6-8)15(19)20)14-11-5-4-10(16(21)22)7-12(11)17(23)24/h1-7H,(H,14,18).
What are the key properties of N-(2,4-dinitrophenyl)-3-nitrobenzamide?
N-(2,4-dinitrophenyl)-3-nitrobenzamide has a molecular weight of 332.23 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dinitrophenyl)-3-nitrobenzamide is sourced from PubChem (CID 3427628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).