N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide

C25H24N4O — CID 16652280

IUPACN-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(-n2nncc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H24N4O/c1-4-19-7-5-6-18(3)24(19)27-25(30)21-12-14-22(15-13-21)29-23(16-26-28-29)20-10-8-17(2)9-11-20/h5-16H,4H2,1-3H3,(H,27,30)
InChIKeyFKEDMJDYMHXLHK-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.37
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide

N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide (PubChem CID 16652280) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
PubChem CID16652280
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(-n2nncc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H24N4O/c1-4-19-7-5-6-18(3)24(19)27-25(30)21-12-14-22(15-13-21)29-23(16-26-28-29)20-10-8-17(2)9-11-20/h5-16H,4H2,1-3H3,(H,27,30)
InChIKeyFKEDMJDYMHXLHK-UHFFFAOYSA-N
XLogP5.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 16652420
N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652238
N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652236
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide
CID 16652373
4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4607440
6-amino-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 62153379
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide
CID 50880804
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017659
N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652321
propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate
CID 16652359

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide (CID 16652280) is N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide is CCc1cccc(C)c1NC(=O)c1ccc(-n2nncc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide?
The InChIKey is FKEDMJDYMHXLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-4-19-7-5-6-18(3)24(19)27-25(30)21-12-14-22(15-13-21)29-23(16-26-28-29)20-10-8-17(2)9-11-20/h5-16H,4H2,1-3H3,(H,27,30).
What are the key properties of N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide?
N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide is sourced from PubChem (CID 16652280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).