N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide

C27H20N2O4 — CID 11026488

IUPACN-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide
SMILESO=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H20N2O4/c30-26(21-14-8-3-9-15-21)23-18-22(29(32)33)16-17-24(23)28-27(31)25(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-18,25H,(H,28,31)
InChIKeyRVWRECMUDCFXBY-UHFFFAOYSA-N
MW436.47 g/mol
LogP5.60
Rot. Bonds7

About N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide

N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide (PubChem CID 11026488) has the molecular formula C27H20N2O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide
PubChem CID11026488
Molecular FormulaC27H20N2O4
Molecular Weight436.47 g/mol
Exact Mass436.14
IUPAC NameN-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide
SMILESO=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H20N2O4/c30-26(21-14-8-3-9-15-21)23-18-22(29(32)33)16-17-24(23)28-27(31)25(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-18,25H,(H,28,31)
InChIKeyRVWRECMUDCFXBY-UHFFFAOYSA-N
XLogP5.60
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 55.60
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-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide
CID 154108561
N-(2-benzoyl-4-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 78873840
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 1354566
2-(2-methylpropanoylamino)-5-nitrobenzoic acid
CID 16770490
1-(2-benzoyl-4-bromophenyl)-3-(4-nitrophenyl)urea
CID 3126800
N-(5-nitro-2-pyridinyl)-2,2-diphenylacetamide
CID 2867447
2-(4-benzoylanilino)-5-nitrobenzoic acid
CID 18358190
[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone
CID 624667
(E)-N-(2-benzoyl-4-nitrophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 11201786
N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 78830947
N-(6-nitro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 2433919
[5-nitro-2-(propan-2-ylamino)phenyl]-(4-propan-2-ylphenyl)methanone
CID 11370811

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide?
The IUPAC name of N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide (CID 11026488) is N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide?
The canonical SMILES for N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide is O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide?
The InChIKey is RVWRECMUDCFXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O4/c30-26(21-14-8-3-9-15-21)23-18-22(29(32)33)16-17-24(23)28-27(31)25(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-18,25H,(H,28,31).
What are the key properties of N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide?
N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide has a molecular weight of 436.47 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide is sourced from PubChem (CID 11026488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).