2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide

C20H16N2O4 — CID 894792

IUPAC2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H16N2O4/c23-20(21-16-8-2-1-3-9-16)18-11-4-5-12-19(18)26-14-15-7-6-10-17(13-15)22(24)25/h1-13H,14H2,(H,21,23)
InChIKeyCCSNFGDBPDCBMT-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.43
Rot. Bonds6

About 2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide

2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide (PubChem CID 894792) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide
PubChem CID894792
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H16N2O4/c23-20(21-16-8-2-1-3-9-16)18-11-4-5-12-19(18)26-14-15-7-6-10-17(13-15)22(24)25/h1-13H,14H2,(H,21,23)
InChIKeyCCSNFGDBPDCBMT-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'}

Analyze 2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4'-Methoxy-3-nitrobenzanilide
CID 306529
Salverine
CID 65585
N-(4-Ethoxyphenyl)-2-hydroxybenzamide
CID 94777
Ica-105574
CID 715924
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
ALR2 inhibitor, 8
CID 127053811
2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide
CID 53301913
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 795568

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide?
The IUPAC name of 2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide (CID 894792) is 2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1OCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide?
The InChIKey is CCSNFGDBPDCBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-20(21-16-8-2-1-3-9-16)18-11-4-5-12-19(18)26-14-15-7-6-10-17(13-15)22(24)25/h1-13H,14H2,(H,21,23).
What are the key properties of 2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide?
2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide 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 2-[(3-nitrophenyl)methoxy]-N-phenylbenzamide is sourced from PubChem (CID 894792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).