3-nitro-N-(4-phenylmethoxyphenyl)benzamide

C20H16N2O4 — CID 680346

IUPAC3-nitro-N-(4-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H16N2O4/c23-20(16-7-4-8-18(13-16)22(24)25)21-17-9-11-19(12-10-17)26-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,21,23)
InChIKeyKLWLOSCIRMBHNS-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.43
Rot. Bonds6

About 3-nitro-N-(4-phenylmethoxyphenyl)benzamide

3-nitro-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 680346) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-nitro-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID680346
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name3-nitro-N-(4-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H16N2O4/c23-20(16-7-4-8-18(13-16)22(24)25)21-17-9-11-19(12-10-17)26-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,21,23)
InChIKeyKLWLOSCIRMBHNS-UHFFFAOYSA-N
XLogP4.43
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.43
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-nitrobenzanilide
CID 306529
Benzamide, N-(4-ethoxyphenyl)-
CID 203878
Ica-105574
CID 715924
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-
CID 113058
N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 700573
2-hydroxy-N-(4-methoxyphenyl)-5-nitrobenzamide
CID 487737
N-[4-(benzyloxy)phenyl]-3-nitro-4-methoxybenzamide
CID 1219371
5-amino-2-ethoxy-N-(3-trifluoromethylphenyl)benzamide
CID 52913206
3-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate
CID 1718507
N-(4-methoxyphenyl)-2-nitrobenzamide
CID 789287
O-Tolu-P-phenetidide
CID 710558

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 3-nitro-N-(4-phenylmethoxyphenyl)benzamide (CID 680346) is 3-nitro-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 3-nitro-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 3-nitro-N-(4-phenylmethoxyphenyl)benzamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is KLWLOSCIRMBHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-20(16-7-4-8-18(13-16)22(24)25)21-17-9-11-19(12-10-17)26-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,21,23).
What are the key properties of 3-nitro-N-(4-phenylmethoxyphenyl)benzamide?
3-nitro-N-(4-phenylmethoxyphenyl)benzamide has a molecular weight of 348.36 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 680346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).