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

C21H18N2O4 — CID 2839991

IUPACN-(2-methoxy-4-nitrophenyl)-2,2-diphenylacetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O4/c1-27-19-14-17(23(25)26)12-13-18(19)22-21(24)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20H,1H3,(H,22,24)
InChIKeyWJENPZVTQRNDHV-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.37
Rot. Bonds6

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

N-(2-methoxy-4-nitrophenyl)-2,2-diphenylacetamide (PubChem CID 2839991) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2,2-diphenylacetamide
PubChem CID2839991
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2,2-diphenylacetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O4/c1-27-19-14-17(23(25)26)12-13-18(19)22-21(24)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20H,1H3,(H,22,24)
InChIKeyWJENPZVTQRNDHV-UHFFFAOYSA-N
XLogP4.37
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.37
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-(2,5-Dimethoxyphenyl)-4-nitrobenzamide
CID 532160
N-(2-hydroxy-4-nitrophenyl)-2,2-bis(4-methylphenyl)cyclopropanecarboxamide
CID 3375236
2-hydroxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 11254734
N-(2,5-dimethoxyphenyl)-4-phenylbutanamide
CID 836363
N-(2-methoxy-5-nitrophenyl)-4-phenyltetrahydro-2H-pyran-4-carboxamide
CID 1260384
N-(2,5-dimethoxyphenyl)-2-phenylcyclopropanecarboxamide
CID 2931417
N-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide
CID 3256817
N-{[(2-methoxy-4-nitrophenyl)amino]carbonylamino}-3-phenylpropanamide
CID 24818636
N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
CID 674958
2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2933477
N-(2-methoxy-4-nitrophenyl)-2-phenylacetamide
CID 307332
N-[4-(acetylamino)-2,5-dimethoxyphenyl]benzamide
CID 807852

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2,2-diphenylacetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2,2-diphenylacetamide (CID 2839991) is N-(2-methoxy-4-nitrophenyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2,2-diphenylacetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2,2-diphenylacetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2,2-diphenylacetamide?
The InChIKey is WJENPZVTQRNDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-27-19-14-17(23(25)26)12-13-18(19)22-21(24)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20H,1H3,(H,22,24).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2,2-diphenylacetamide?
N-(2-methoxy-4-nitrophenyl)-2,2-diphenylacetamide has a molecular weight of 362.39 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2,2-diphenylacetamide is sourced from PubChem (CID 2839991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).