3-nitro-N-(2-phenoxyphenyl)benzamide

C19H14N2O4 — CID 804211

IUPAC3-nitro-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H14N2O4/c22-19(14-7-6-8-15(13-14)21(23)24)20-17-11-4-5-12-18(17)25-16-9-2-1-3-10-16/h1-13H,(H,20,22)
InChIKeyWPEFRVLFTSYXQL-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.64
Rot. Bonds5

About 3-nitro-N-(2-phenoxyphenyl)benzamide

3-nitro-N-(2-phenoxyphenyl)benzamide (PubChem CID 804211) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 3-nitro-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(2-phenoxyphenyl)benzamide
PubChem CID804211
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name3-nitro-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H14N2O4/c22-19(14-7-6-8-15(13-14)21(23)24)20-17-11-4-5-12-18(17)25-16-9-2-1-3-10-16/h1-13H,(H,20,22)
InChIKeyWPEFRVLFTSYXQL-UHFFFAOYSA-N
XLogP4.64
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.64
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'}

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Related Compounds

4-methoxy-3-nitro-N-phenylbenzamide
CID 7331
4'-Methoxy-3-nitrobenzanilide
CID 306529
4-(2-(3-Nitrobenzoylamino)phenoxy)phthalic acid
CID 657140
Ica-105574
CID 715924
Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-
CID 113058
4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide
CID 127045675
N-(2-methoxyphenyl)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]diselanyl]benzamide
CID 13673587
(2-Benzamidophenyl) benzoate
CID 226518
N-[2-(4-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580264
N-[4-(benzyloxy)phenyl]-3-nitro-4-methoxybenzamide
CID 1219371
3-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate
CID 1718507
N-[4-(aminocarbonyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 874576

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of 3-nitro-N-(2-phenoxyphenyl)benzamide (CID 804211) is 3-nitro-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for 3-nitro-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for 3-nitro-N-(2-phenoxyphenyl)benzamide is O=C(Nc1ccccc1Oc1ccccc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-(2-phenoxyphenyl)benzamide?
The InChIKey is WPEFRVLFTSYXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-19(14-7-6-8-15(13-14)21(23)24)20-17-11-4-5-12-18(17)25-16-9-2-1-3-10-16/h1-13H,(H,20,22).
What are the key properties of 3-nitro-N-(2-phenoxyphenyl)benzamide?
3-nitro-N-(2-phenoxyphenyl)benzamide has a molecular weight of 334.33 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 804211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).