N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide

C21H16N2O4 — CID 99997717

IUPACN-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C21H16N2O4/c1-14-11-12-16(13-19(14)23(26)27)21(25)22-18-10-6-5-9-17(18)20(24)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,25)
InChIKeyNYGNONQBOPSXNV-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.39
Rot. Bonds5

About N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide

N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide (PubChem CID 99997717) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
PubChem CID99997717
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC NameN-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C21H16N2O4/c1-14-11-12-16(13-19(14)23(26)27)21(25)22-18-10-6-5-9-17(18)20(24)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,25)
InChIKeyNYGNONQBOPSXNV-UHFFFAOYSA-N
XLogP4.39
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.39
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

N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-methyl-3-nitrobenzamide
CID 40820702
N-(2-cyanophenyl)-4-methyl-3-nitrobenzamide
CID 24710737
4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide
CID 3405198
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368
4-methyl-3-nitro-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361103
5-chloro-2-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid
CID 45433922
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
CID 43903885
4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17396372
N-[2-(tert-butylcarbamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 17256604
2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid
CID 28671342
N-(2-bromo-3-pyridinyl)-4-methyl-3-nitrobenzamide
CID 103819140

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide?
The IUPAC name of N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide (CID 99997717) is N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide?
The InChIKey is NYGNONQBOPSXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-14-11-12-16(13-19(14)23(26)27)21(25)22-18-10-6-5-9-17(18)20(24)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,25).
What are the key properties of N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide?
N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide has a molecular weight of 360.37 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 99997717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).