N-[(4-methoxyphenyl)methyl]-4-phenylbenzamide

C21H19NO2 — CID 710674

IUPACN-[(4-methoxyphenyl)methyl]-4-phenylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO2/c1-24-20-13-7-16(8-14-20)15-22-21(23)19-11-9-18(10-12-19)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,22,23)
InChIKeyWEAABOAXWGOJPX-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.29
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-4-phenylbenzamide

N-[(4-methoxyphenyl)methyl]-4-phenylbenzamide (PubChem CID 710674) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-phenylbenzamide
PubChem CID710674
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-phenylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO2/c1-24-20-13-7-16(8-14-20)15-22-21(23)19-11-9-18(10-12-19)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,22,23)
InChIKeyWEAABOAXWGOJPX-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-phenylbenzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-phenylbenzamide (CID 710674) is N-[(4-methoxyphenyl)methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-phenylbenzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-phenylbenzamide is COc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-phenylbenzamide?
The InChIKey is WEAABOAXWGOJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-24-20-13-7-16(8-14-20)15-22-21(23)19-11-9-18(10-12-19)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,22,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-phenylbenzamide?
N-[(4-methoxyphenyl)methyl]-4-phenylbenzamide has a molecular weight of 317.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-phenylbenzamide is sourced from PubChem (CID 710674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).