1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide

C16H11Cl2FN4O — CID 58191737

IUPAC1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H11Cl2FN4O/c1-9-15(16(24)20-11-4-2-3-10(17)7-11)21-22-23(9)12-5-6-14(19)13(18)8-12/h2-8H,1H3,(H,20,24)
InChIKeyVYSAQYRACVPVFE-UHFFFAOYSA-N
MW365.20 g/mol
LogP4.27
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide

1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide (PubChem CID 58191737) has the molecular formula C16H11Cl2FN4O and a molecular weight of 365.20 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
PubChem CID58191737
Molecular FormulaC16H11Cl2FN4O
Molecular Weight365.20 g/mol
Exact Mass364.03
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H11Cl2FN4O/c1-9-15(16(24)20-11-4-2-3-10(17)7-11)21-22-23(9)12-5-6-14(19)13(18)8-12/h2-8H,1H3,(H,20,24)
InChIKeyVYSAQYRACVPVFE-UHFFFAOYSA-N
XLogP4.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55881177
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
1-(3-chloro-4-fluorophenyl)-5-methyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 71878033
N-(3-chloro-4-fluorophenyl)-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 22516202
methyl 3-[[1-(3-chloro-4-methylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649515
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
1-(3-chlorophenyl)-5-methyl-N-(4-piperidin-1-ylphenyl)triazole-4-carboxamide
CID 60527463
1-(4-chlorophenyl)-5-methyl-N-(3-nitrophenyl)triazole-4-carboxamide
CID 16651348
N-(3-chlorophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide
CID 16648940
N-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 119524638
N-(3-chlorophenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2141172
1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 7184921

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide (CID 58191737) is 1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is VYSAQYRACVPVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN4O/c1-9-15(16(24)20-11-4-2-3-10(17)7-11)21-22-23(9)12-5-6-14(19)13(18)8-12/h2-8H,1H3,(H,20,24).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide?
1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 365.20 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 58191737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).