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

C21H19NO — CID 1228171

IUPACN-[(4-methylphenyl)methyl]-4-phenylbenzamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO/c1-16-7-9-17(10-8-16)15-22-21(23)20-13-11-19(12-14-20)18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,22,23)
InChIKeyNZLVRDXBXSGNLT-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.59
Rot. Bonds4

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

N-[(4-methylphenyl)methyl]-4-phenylbenzamide (PubChem CID 1228171) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-phenylbenzamide
PubChem CID1228171
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC NameN-[(4-methylphenyl)methyl]-4-phenylbenzamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO/c1-16-7-9-17(10-8-16)15-22-21(23)20-13-11-19(12-14-20)18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,22,23)
InChIKeyNZLVRDXBXSGNLT-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
CID 167282073
4-(benzamidomethyl)benzoic acid
CID 10879683
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
(E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoic acid
CID 170766335
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
4-(acetamidomethyl)-N-(4-phenylphenyl)benzamide
CID 78805930
ethane;(E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoic acid
CID 170790898
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-phenylbenzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-phenylbenzamide (CID 1228171) is N-[(4-methylphenyl)methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-phenylbenzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-phenylbenzamide is Cc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-phenylbenzamide?
The InChIKey is NZLVRDXBXSGNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-16-7-9-17(10-8-16)15-22-21(23)20-13-11-19(12-14-20)18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,22,23).
What are the key properties of N-[(4-methylphenyl)methyl]-4-phenylbenzamide?
N-[(4-methylphenyl)methyl]-4-phenylbenzamide has a molecular weight of 301.39 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-phenylbenzamide is sourced from PubChem (CID 1228171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).