N-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide

C24H20FN5O2 — CID 86901240

IUPACN-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)c1
InChIInChI=1S/C24H20FN5O2/c1-15-23(24(32)27-22-14-19(26-16(2)31)10-13-21(22)25)28-29-30(15)20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,26,31)(H,27,32)
InChIKeyPCBXWLLLVKOVBY-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.59
Rot. Bonds5

About N-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide

N-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide (PubChem CID 86901240) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide
PubChem CID86901240
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC NameN-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)c1
InChIInChI=1S/C24H20FN5O2/c1-15-23(24(32)27-22-14-19(26-16(2)31)10-13-21(22)25)28-29-30(15)20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,26,31)(H,27,32)
InChIKeyPCBXWLLLVKOVBY-UHFFFAOYSA-N
XLogP4.59
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide
CID 86901245
5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide
CID 155946723
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide
CID 55891897
N-(3,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7246289
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249
N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55723718
N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150262
1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 58191737
N-(4-acetamido-2-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 86902978

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide (CID 86901240) is N-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide is CC(=O)Nc1ccc(F)c(NC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide?
The InChIKey is PCBXWLLLVKOVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c1-15-23(24(32)27-22-14-19(26-16(2)31)10-13-21(22)25)28-29-30(15)20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,26,31)(H,27,32).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide?
N-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 86901240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).