N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

C16H12ClFN4O — CID 2141048

IUPACN-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C16H12ClFN4O/c1-10-15(16(23)19-13-6-2-11(17)3-7-13)20-21-22(10)14-8-4-12(18)5-9-14/h2-9H,1H3,(H,19,23)
InChIKeyRTVVIVJTLQPHSO-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.62
Rot. Bonds3

About N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (PubChem CID 2141048) has the molecular formula C16H12ClFN4O and a molecular weight of 330.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
PubChem CID2141048
Molecular FormulaC16H12ClFN4O
Molecular Weight330.75 g/mol
Exact Mass330.07
IUPAC NameN-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C16H12ClFN4O/c1-10-15(16(23)19-13-6-2-11(17)3-7-13)20-21-22(10)14-8-4-12(18)5-9-14/h2-9H,1H3,(H,19,23)
InChIKeyRTVVIVJTLQPHSO-UHFFFAOYSA-N
XLogP3.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 9151696
4-[[1-(4-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 7464430
1-[4-(difluoromethoxy)phenyl]-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 16654311
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2144859
1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide
CID 55891897
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
1-(4-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
CID 6484763
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 43837208
1-(4-chlorophenyl)-N,5-bis(4-fluorophenyl)-1,2,4-triazole-3-carboxamide
CID 124786561
1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide
CID 55599112
1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 58191737

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (CID 2141048) is N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccc(F)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is RTVVIVJTLQPHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O/c1-10-15(16(23)19-13-6-2-11(17)3-7-13)20-21-22(10)14-8-4-12(18)5-9-14/h2-9H,1H3,(H,19,23).
What are the key properties of N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 330.75 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 2141048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).