2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide

C22H21NO — CID 174996851

IUPAC2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc(C(c2ccccc2)c2ccccc2C(N)=O)c(C)c1
InChIInChI=1S/C22H21NO/c1-15-12-13-18(16(2)14-15)21(17-8-4-3-5-9-17)19-10-6-7-11-20(19)22(23)24/h3-14,21H,1-2H3,(H2,23,24)
InChIKeyFMMISXYRRFYNAO-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.58
Rot. Bonds4

About 2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide

2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide (PubChem CID 174996851) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide
PubChem CID174996851
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc(C(c2ccccc2)c2ccccc2C(N)=O)c(C)c1
InChIInChI=1S/C22H21NO/c1-15-12-13-18(16(2)14-15)21(17-8-4-3-5-9-17)19-10-6-7-11-20(19)22(23)24/h3-14,21H,1-2H3,(H2,23,24)
InChIKeyFMMISXYRRFYNAO-UHFFFAOYSA-N
XLogP4.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(2,4-dimethylphenyl)-phenylmethyl]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

2-[(2-methylphenyl)-phenylmethyl]benzamide
CID 68831264
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene
CID 54025745
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
2-[bromo(phenyl)methyl]benzamide
CID 175221886
N-[(2,4-dimethylphenyl)-phenylmethyl]-2,5-dimethylbenzamide
CID 133200142
2-[2-(2,4-dimethylbenzoyl)hydrazinyl]-2-phenylacetamide
CID 42939767
(2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine
CID 63418067
N-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline
CID 155208191
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
(2,4-dimethylphenyl)-(2-methylphenyl)methanamine
CID 43198494
3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119716655

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide (CID 174996851) is 2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide is Cc1ccc(C(c2ccccc2)c2ccccc2C(N)=O)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide?
The InChIKey is FMMISXYRRFYNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-15-12-13-18(16(2)14-15)21(17-8-4-3-5-9-17)19-10-6-7-11-20(19)22(23)24/h3-14,21H,1-2H3,(H2,23,24).
What are the key properties of 2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide?
2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide has a molecular weight of 315.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 174996851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).