N-[(3,4-dimethoxyphenyl)methyl]-4-phenylbenzamide

C22H21NO3 — CID 2347440

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC
InChIInChI=1S/C22H21NO3/c1-25-20-13-8-16(14-21(20)26-2)15-23-22(24)19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyZJVKYNGLIPEWKP-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.30
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-4-phenylbenzamide

N-[(3,4-dimethoxyphenyl)methyl]-4-phenylbenzamide (PubChem CID 2347440) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
PubChem CID2347440
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC
InChIInChI=1S/C22H21NO3/c1-25-20-13-8-16(14-21(20)26-2)15-23-22(24)19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyZJVKYNGLIPEWKP-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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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-phenylbenzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-phenylbenzamide (CID 2347440) is N-[(3,4-dimethoxyphenyl)methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-phenylbenzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-phenylbenzamide is COc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-phenylbenzamide?
The InChIKey is ZJVKYNGLIPEWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-25-20-13-8-16(14-21(20)26-2)15-23-22(24)19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,23,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-phenylbenzamide?
N-[(3,4-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-[(3,4-dimethoxyphenyl)methyl]-4-phenylbenzamide is sourced from PubChem (CID 2347440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).