N-(3-nitrophenyl)-4-phenoxybenzamide

C19H14N2O4 — CID 7965638

IUPACN-(3-nitrophenyl)-4-phenoxybenzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H14N2O4/c22-19(20-15-5-4-6-16(13-15)21(23)24)14-9-11-18(12-10-14)25-17-7-2-1-3-8-17/h1-13H,(H,20,22)
InChIKeyRVEPOVCIAMSXHY-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.64
Rot. Bonds5

About N-(3-nitrophenyl)-4-phenoxybenzamide

N-(3-nitrophenyl)-4-phenoxybenzamide (PubChem CID 7965638) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-(3-nitrophenyl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-4-phenoxybenzamide
PubChem CID7965638
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC NameN-(3-nitrophenyl)-4-phenoxybenzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H14N2O4/c22-19(20-15-5-4-6-16(13-15)21(23)24)14-9-11-18(12-10-14)25-17-7-2-1-3-8-17/h1-13H,(H,20,22)
InChIKeyRVEPOVCIAMSXHY-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'}

Analyze N-(3-nitrophenyl)-4-phenoxybenzamide 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-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930
N-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide
CID 1381387
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide
CID 4223458
4-N-(3-nitrophenyl)-1-N-[2-[[4-[(3-nitrophenyl)carbamoyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
CID 22152538
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide
CID 17134273
5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide
CID 15745029
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid
CID 67342906
N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-4-phenoxybenzamide?
The IUPAC name of N-(3-nitrophenyl)-4-phenoxybenzamide (CID 7965638) is N-(3-nitrophenyl)-4-phenoxybenzamide.
What is the SMILES notation for N-(3-nitrophenyl)-4-phenoxybenzamide?
The canonical SMILES for N-(3-nitrophenyl)-4-phenoxybenzamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(3-nitrophenyl)-4-phenoxybenzamide?
The InChIKey is RVEPOVCIAMSXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-19(20-15-5-4-6-16(13-15)21(23)24)14-9-11-18(12-10-14)25-17-7-2-1-3-8-17/h1-13H,(H,20,22).
What are the key properties of N-(3-nitrophenyl)-4-phenoxybenzamide?
N-(3-nitrophenyl)-4-phenoxybenzamide 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 N-(3-nitrophenyl)-4-phenoxybenzamide is sourced from PubChem (CID 7965638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).