N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide

C18H17FN4O — CID 27261462

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H](C)c2ccc(F)cc2)nnn1-c1ccccc1
InChIInChI=1S/C18H17FN4O/c1-12(14-8-10-15(19)11-9-14)20-18(24)17-13(2)23(22-21-17)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,20,24)/t12-/m0/s1
InChIKeyDFOPGNPRDBRICH-LBPRGKRZSA-N
MW324.36 g/mol
LogP3.21
Rot. Bonds4

About N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide (PubChem CID 27261462) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide
PubChem CID27261462
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H](C)c2ccc(F)cc2)nnn1-c1ccccc1
InChIInChI=1S/C18H17FN4O/c1-12(14-8-10-15(19)11-9-14)20-18(24)17-13(2)23(22-21-17)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,20,24)/t12-/m0/s1
InChIKeyDFOPGNPRDBRICH-LBPRGKRZSA-N
XLogP3.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-5-methyl-N-[(1R)-1-phenylethyl]triazole-4-carboxamide
CID 27245858
1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide
CID 53333407
1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide
CID 46858342
N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 9151696
N-[1-(4-fluorophenyl)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42929735
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]-3-phenylpropanoate
CID 47062002
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 94595018
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55783339
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55884402
1-(3-bromophenyl)-5-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazole-4-carboxamide
CID 55874489
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 95091546

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide (CID 27261462) is N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide is Cc1c(C(=O)N[C@@H](C)c2ccc(F)cc2)nnn1-c1ccccc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide?
The InChIKey is DFOPGNPRDBRICH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-12(14-8-10-15(19)11-9-14)20-18(24)17-13(2)23(22-21-17)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,20,24)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 27261462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).