N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide

C22H21NO3 — CID 46590205

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C22H21NO3/c1-25-20-13-12-19(21(14-20)26-2)15-23-22(24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyIPZAXCSTWMRHCS-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.30
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide

N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide (PubChem CID 46590205) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
PubChem CID46590205
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C22H21NO3/c1-25-20-13-12-19(21(14-20)26-2)15-23-22(24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyIPZAXCSTWMRHCS-UHFFFAOYSA-N
XLogP4.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[(2,4-dimethoxyphenyl)methyl]-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078371
N-[(2,4-dimethoxyphenyl)methyl]-9-oxofluorene-2-carboxamide
CID 55577076
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide
CID 141373361
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762837
N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 33104762
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide (CID 46590205) is N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide is COc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide?
The InChIKey is IPZAXCSTWMRHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-25-20-13-12-19(21(14-20)26-2)15-23-22(24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,23,24).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide?
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide has a molecular weight of 347.41 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide is sourced from PubChem (CID 46590205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).