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

C20H16N2O4 — CID 3405198

IUPAC4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H16N2O4/c1-14-11-12-15(13-18(14)22(24)25)20(23)21-17-9-5-6-10-19(17)26-16-7-3-2-4-8-16/h2-13H,1H3,(H,21,23)
InChIKeyFQNBDPMTIZZDLI-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.95
Rot. Bonds5

About 4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide

4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide (PubChem CID 3405198) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide
PubChem CID3405198
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H16N2O4/c1-14-11-12-15(13-18(14)22(24)25)20(23)21-17-9-5-6-10-19(17)26-16-7-3-2-4-8-16/h2-13H,1H3,(H,21,23)
InChIKeyFQNBDPMTIZZDLI-UHFFFAOYSA-N
XLogP4.95
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.95
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 4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide 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-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17396372
N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
CID 52725278
N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
CID 99997717
N-(2-cyanophenyl)-4-methyl-3-nitrobenzamide
CID 24710737
4-[2-[(4-chloro-3-nitrobenzoyl)amino]phenoxy]phthalic acid
CID 18506214
2,4-dinitro-N-(2-phenoxyphenyl)benzamide
CID 4693634
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide
CID 100710300
N-[2-(4-methylphenoxy)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 38506829
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368
3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16960800

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of 4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide (CID 3405198) is 4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for 4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for 4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide is Cc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide?
The InChIKey is FQNBDPMTIZZDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-14-11-12-15(13-18(14)22(24)25)20(23)21-17-9-5-6-10-19(17)26-16-7-3-2-4-8-16/h2-13H,1H3,(H,21,23).
What are the key properties of 4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide?
4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide has a molecular weight of 348.36 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 3405198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).