2,4-dinitro-N-(2-phenoxyphenyl)benzamide

C19H13N3O6 — CID 4693634

IUPAC2,4-dinitro-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C19H13N3O6/c23-19(15-11-10-13(21(24)25)12-17(15)22(26)27)20-16-8-4-5-9-18(16)28-14-6-2-1-3-7-14/h1-12H,(H,20,23)
InChIKeyJCGWPFDSQVYMRG-UHFFFAOYSA-N
MW379.33 g/mol
LogP4.55
Rot. Bonds6

About 2,4-dinitro-N-(2-phenoxyphenyl)benzamide

2,4-dinitro-N-(2-phenoxyphenyl)benzamide (PubChem CID 4693634) has the molecular formula C19H13N3O6 and a molecular weight of 379.33 g/mol. Its IUPAC name is 2,4-dinitro-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name2,4-dinitro-N-(2-phenoxyphenyl)benzamide
PubChem CID4693634
Molecular FormulaC19H13N3O6
Molecular Weight379.33 g/mol
Exact Mass379.08
IUPAC Name2,4-dinitro-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C19H13N3O6/c23-19(15-11-10-13(21(24)25)12-17(15)22(26)27)20-16-8-4-5-9-18(16)28-14-6-2-1-3-7-14/h1-12H,(H,20,23)
InChIKeyJCGWPFDSQVYMRG-UHFFFAOYSA-N
XLogP4.55
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide
CID 24676480
N-(2-bromophenyl)-2,4-dinitrobenzamide
CID 4244481
N-[4-[3-[4-[(2,4-dinitrobenzoyl)amino]phenoxy]phenoxy]phenyl]-2,4-dinitrobenzamide
CID 3095747
2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide
CID 5037290
N-(2-ethylphenyl)-2,4-dinitrobenzamide
CID 4582085
2-chloro-N-[2-(4-ethoxyphenoxy)phenyl]-4-nitrobenzamide
CID 8873797
2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide
CID 21372734
N-[4-[4-[(2,4-dinitrobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-2,4-dinitrobenzamide
CID 3643668
N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
CID 60528366
4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide
CID 3405198
5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide
CID 9452991
5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 55752798

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitro-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of 2,4-dinitro-N-(2-phenoxyphenyl)benzamide (CID 4693634) is 2,4-dinitro-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for 2,4-dinitro-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for 2,4-dinitro-N-(2-phenoxyphenyl)benzamide is O=C(Nc1ccccc1Oc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2,4-dinitro-N-(2-phenoxyphenyl)benzamide?
The InChIKey is JCGWPFDSQVYMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O6/c23-19(15-11-10-13(21(24)25)12-17(15)22(26)27)20-16-8-4-5-9-18(16)28-14-6-2-1-3-7-14/h1-12H,(H,20,23).
What are the key properties of 2,4-dinitro-N-(2-phenoxyphenyl)benzamide?
2,4-dinitro-N-(2-phenoxyphenyl)benzamide has a molecular weight of 379.33 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitro-N-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 4693634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).