2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide

C22H18N2O2 — CID 168522643

IUPAC2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O2/c23-16-15-21(25)24-20-14-8-7-13-19(20)22(26,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,26H,15H2,(H,24,25)
InChIKeyAPULPWACJDZQKK-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.82
Rot. Bonds5

About 2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide

2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide (PubChem CID 168522643) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide
PubChem CID168522643
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O2/c23-16-15-21(25)24-20-14-8-7-13-19(20)22(26,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,26H,15H2,(H,24,25)
InChIKeyAPULPWACJDZQKK-UHFFFAOYSA-N
XLogP3.82
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide 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

1-[(2-cyanoacetyl)amino]-3-[2-(trifluoromethyl)phenyl]urea
CID 3539106
2-cyano-N-(2-methylsulfanylphenyl)acetamide
CID 82672014
(E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide
CID 108923032
2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide
CID 108923450
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide
CID 168521035
benzyl 2-[(2-cyanoacetyl)amino]benzoate
CID 168523295
2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168520948
2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 110470101
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide
CID 108922941
2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide
CID 168523939
2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide
CID 108923007

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide (CID 168522643) is 2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide is N#CCC(=O)Nc1ccccc1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide?
The InChIKey is APULPWACJDZQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c23-16-15-21(25)24-20-14-8-7-13-19(20)22(26,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,26H,15H2,(H,24,25).
What are the key properties of 2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide?
2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide is sourced from PubChem (CID 168522643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).