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

C22H21NO3 — CID 46590265

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-phenylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2-c2ccccc2)c(OC)c1
InChIInChI=1S/C22H21NO3/c1-25-18-13-12-17(21(14-18)26-2)15-23-22(24)20-11-7-6-10-19(20)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyQCXJMIRCJDFNCE-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.30
Rot. Bonds6

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

N-[(2,4-dimethoxyphenyl)methyl]-2-phenylbenzamide (PubChem CID 46590265) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-phenylbenzamide
PubChem CID46590265
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-phenylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2-c2ccccc2)c(OC)c1
InChIInChI=1S/C22H21NO3/c1-25-18-13-12-17(21(14-18)26-2)15-23-22(24)20-11-7-6-10-19(20)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyQCXJMIRCJDFNCE-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

CID 57328615
CID 57328615
CID 57328616
CID 57328616
CID 117941658
CID 117941658
CID 3083797
CID 3083797
CID 70685217
CID 70685217
CID 46151
CID 46151
CID 3071639
CID 3071639
CID 710674
CID 710674
CID 720058
CID 720058
CID 44270882
CID 44270882
CID 739206
CID 739206
CID 2222926
CID 2222926

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-phenylbenzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-phenylbenzamide (CID 46590265) is N-[(2,4-dimethoxyphenyl)methyl]-2-phenylbenzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-phenylbenzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-phenylbenzamide is COc1ccc(CNC(=O)c2ccccc2-c2ccccc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-phenylbenzamide?
The InChIKey is QCXJMIRCJDFNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-25-18-13-12-17(21(14-18)26-2)15-23-22(24)20-11-7-6-10-19(20)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,23,24).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-phenylbenzamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-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]-2-phenylbenzamide is sourced from PubChem (CID 46590265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).