N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide

C26H22N2O — CID 56597953

IUPACN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide
SMILESCc1cc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4)cc3)cc2)ccn1
InChIInChI=1S/C26H22N2O/c1-19-17-25(15-16-27-19)23-9-7-20(8-10-23)18-28-26(29)24-13-11-22(12-14-24)21-5-3-2-4-6-21/h2-17H,18H2,1H3,(H,28,29)
InChIKeyZRPRMDMKAFAWIK-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.65
Rot. Bonds5

About N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide

N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide (PubChem CID 56597953) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide
PubChem CID56597953
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC NameN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide
SMILESCc1cc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4)cc3)cc2)ccn1
InChIInChI=1S/C26H22N2O/c1-19-17-25(15-16-27-19)23-9-7-20(8-10-23)18-28-26(29)24-13-11-22(12-14-24)21-5-3-2-4-6-21/h2-17H,18H2,1H3,(H,28,29)
InChIKeyZRPRMDMKAFAWIK-UHFFFAOYSA-N
XLogP5.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide?
The IUPAC name of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide (CID 56597953) is N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide is Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4)cc3)cc2)ccn1.
What is the InChIKey of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide?
The InChIKey is ZRPRMDMKAFAWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O/c1-19-17-25(15-16-27-19)23-9-7-20(8-10-23)18-28-26(29)24-13-11-22(12-14-24)21-5-3-2-4-6-21/h2-17H,18H2,1H3,(H,28,29).
What are the key properties of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide?
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide has a molecular weight of 378.48 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 56597953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).