2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide

C23H21N3O — CID 26819843

IUPAC2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide
SMILESCN(C)c1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)cc1
InChIInChI=1S/C23H21N3O/c1-26(2)19-13-11-17(12-14-19)16-25-23(27)22-10-6-5-9-21(22)20-8-4-3-7-18(20)15-24/h3-14H,16H2,1-2H3,(H,25,27)
InChIKeyTUWNNPVMYAXORL-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.22
Rot. Bonds5

About 2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide

2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide (PubChem CID 26819843) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide
PubChem CID26819843
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide
SMILESCN(C)c1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)cc1
InChIInChI=1S/C23H21N3O/c1-26(2)19-13-11-17(12-14-19)16-25-23(27)22-10-6-5-9-21(22)20-8-4-3-7-18(20)15-24/h3-14H,16H2,1-2H3,(H,25,27)
InChIKeyTUWNNPVMYAXORL-UHFFFAOYSA-N
XLogP4.22
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide 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

N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 27843819
2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26953457
2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55783471
N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide
CID 61378453
N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
CID 86991680
N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide
CID 17479222
2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 29278478
2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 60513634
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 112833774
N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide
CID 54768736
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
CID 17393796
2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 55878950

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide (CID 26819843) is 2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide is CN(C)c1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)cc1.
What is the InChIKey of 2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide?
The InChIKey is TUWNNPVMYAXORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-26(2)19-13-11-17(12-14-19)16-25-23(27)22-10-6-5-9-21(22)20-8-4-3-7-18(20)15-24/h3-14H,16H2,1-2H3,(H,25,27).
What are the key properties of 2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide?
2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide has a molecular weight of 355.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 26819843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).