N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide

C24H22N4O — CID 50880804

IUPACN-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide
SMILESCCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22N4O/c1-3-18-14-22(28-15-25-26-16-28)13-17(2)23(18)27-24(29)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-16H,3H2,1-2H3,(H,27,29)
InChIKeySDTVTGZKXBMGHW-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.06
Rot. Bonds5

About N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide

N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide (PubChem CID 50880804) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide
PubChem CID50880804
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide
SMILESCCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22N4O/c1-3-18-14-22(28-15-25-26-16-28)13-17(2)23(18)27-24(29)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-16H,3H2,1-2H3,(H,27,29)
InChIKeySDTVTGZKXBMGHW-UHFFFAOYSA-N
XLogP5.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide
CID 50881407
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide
CID 50880797
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide
CID 50881359
N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide
CID 50881395
N-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 50880684
N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652280
N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 16644401
N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide
CID 50880888
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 16652420
N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]benzamide
CID 50881403
4-methyl-N-(2,4,6-triphenylphenyl)benzamide
CID 12729541
2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50880772

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide (CID 50880804) is N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide is CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide?
The InChIKey is SDTVTGZKXBMGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-3-18-14-22(28-15-25-26-16-28)13-17(2)23(18)27-24(29)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-16H,3H2,1-2H3,(H,27,29).
What are the key properties of N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide?
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide has a molecular weight of 382.47 g/mol, XLogP of 5.06, 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-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 50880804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).