N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide

C28H25NO — CID 156791791

IUPACN-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide
SMILESCc1ccc(Cc2ccccc2C(=O)N(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H25NO/c1-21-12-16-23(17-13-21)20-24-8-6-7-11-27(24)28(30)29(25-9-4-3-5-10-25)26-18-14-22(2)15-19-26/h3-19H,20H2,1-2H3
InChIKeyLAWAEBYLRDDMNX-UHFFFAOYSA-N
MW391.51 g/mol
LogP6.87
Rot. Bonds5

About N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide

N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide (PubChem CID 156791791) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide
PubChem CID156791791
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC NameN-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide
SMILESCc1ccc(Cc2ccccc2C(=O)N(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H25NO/c1-21-12-16-23(17-13-21)20-24-8-6-7-11-27(24)28(30)29(25-9-4-3-5-10-25)26-18-14-22(2)15-19-26/h3-19H,20H2,1-2H3
InChIKeyLAWAEBYLRDDMNX-UHFFFAOYSA-N
XLogP6.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-[(4-methylphenyl)methyl]benzamide
CID 3722320
2-[(4-methylphenyl)methyl]benzoate
CID 7039635
1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133695
4,6-bis[(4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid
CID 22269445
2-benzyl-N-(4-methylphenyl)sulfonylbenzamide
CID 132940994
N-(2-benzylphenyl)-2-(4-methylphenyl)acetamide
CID 9192456
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
methyl 2-(diphenylcarbamoyl)benzoate
CID 785922
5-methyl-2-[(4-methylphenyl)methyl]benzoic acid
CID 15740404
1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea
CID 66696852
1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea
CID 15856392
(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid
CID 67427194

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide?
The IUPAC name of N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide (CID 156791791) is N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide is Cc1ccc(Cc2ccccc2C(=O)N(c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide?
The InChIKey is LAWAEBYLRDDMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO/c1-21-12-16-23(17-13-21)20-24-8-6-7-11-27(24)28(30)29(25-9-4-3-5-10-25)26-18-14-22(2)15-19-26/h3-19H,20H2,1-2H3.
What are the key properties of N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide?
N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide has a molecular weight of 391.51 g/mol, XLogP of 6.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide is sourced from PubChem (CID 156791791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).