N-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide

C22H18N2O2 — CID 134030110

IUPACN-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NN=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c1-16-12-14-19(15-13-16)21(25)22(26)24-23-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3,(H,24,26)
InChIKeyXKHWKBZSKRIUPR-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.75
Rot. Bonds5

About N-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide

N-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide (PubChem CID 134030110) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide
PubChem CID134030110
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC NameN-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NN=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c1-16-12-14-19(15-13-16)21(25)22(26)24-23-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3,(H,24,26)
InChIKeyXKHWKBZSKRIUPR-UHFFFAOYSA-N
XLogP3.75
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide (CID 134030110) is N-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)NN=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is XKHWKBZSKRIUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-16-12-14-19(15-13-16)21(25)22(26)24-23-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3,(H,24,26).
What are the key properties of N-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide?
N-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 342.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 134030110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).