2,3-dinitro-N-phenylbenzamide

C13H9N3O5 — CID 18931494

IUPAC2,3-dinitro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C13H9N3O5/c17-13(14-9-5-2-1-3-6-9)10-7-4-8-11(15(18)19)12(10)16(20)21/h1-8H,(H,14,17)
InChIKeyYAHNTQADAFTJMN-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.76
Rot. Bonds4

About 2,3-dinitro-N-phenylbenzamide

2,3-dinitro-N-phenylbenzamide (PubChem CID 18931494) has the molecular formula C13H9N3O5 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2,3-dinitro-N-phenylbenzamide.

Molecular Properties

Compound Name2,3-dinitro-N-phenylbenzamide
PubChem CID18931494
Molecular FormulaC13H9N3O5
Molecular Weight287.23 g/mol
Exact Mass287.05
IUPAC Name2,3-dinitro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C13H9N3O5/c17-13(14-9-5-2-1-3-6-9)10-7-4-8-11(15(18)19)12(10)16(20)21/h1-8H,(H,14,17)
InChIKeyYAHNTQADAFTJMN-UHFFFAOYSA-N
XLogP2.76
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
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

2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
[2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite
CID 174856646
2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
CID 157455214
3-deuterio-2-nitro-N-phenylbenzamide
CID 175816152
2,3-dinitrobenzoic acid;2-nitrobenzoic acid
CID 160869744
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
1,2-bis(2,3-dinitrophenyl)ethane-1,2-dione
CID 18546886
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
2,3-dinitrobenzoic acid;pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 130229980
bis(2,3-dinitrobenzoate);nickel(2+)
CID 175806304

Frequently Asked Questions

What is the IUPAC name of 2,3-dinitro-N-phenylbenzamide?
The IUPAC name of 2,3-dinitro-N-phenylbenzamide (CID 18931494) is 2,3-dinitro-N-phenylbenzamide.
What is the SMILES notation for 2,3-dinitro-N-phenylbenzamide?
The canonical SMILES for 2,3-dinitro-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1[N+](=O)[O-].
What is the InChIKey of 2,3-dinitro-N-phenylbenzamide?
The InChIKey is YAHNTQADAFTJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O5/c17-13(14-9-5-2-1-3-6-9)10-7-4-8-11(15(18)19)12(10)16(20)21/h1-8H,(H,14,17).
What are the key properties of 2,3-dinitro-N-phenylbenzamide?
2,3-dinitro-N-phenylbenzamide has a molecular weight of 287.23 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dinitro-N-phenylbenzamide is sourced from PubChem (CID 18931494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).