2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide

C17H14ClFN4O2 — CID 78882498

IUPAC2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)nc2C)cc1F
InChIInChI=1S/C17H14ClFN4O2/c1-10-16(22-23(21-10)13-5-3-4-11(18)8-13)17(24)20-12-6-7-15(25-2)14(19)9-12/h3-9H,1-2H3,(H,20,24)
InChIKeyVVCUFCJBLLJNPS-UHFFFAOYSA-N
MW360.78 g/mol
LogP3.63
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide

2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 78882498) has the molecular formula C17H14ClFN4O2 and a molecular weight of 360.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID78882498
Molecular FormulaC17H14ClFN4O2
Molecular Weight360.78 g/mol
Exact Mass360.08
IUPAC Name2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)nc2C)cc1F
InChIInChI=1S/C17H14ClFN4O2/c1-10-16(22-23(21-10)13-5-3-4-11(18)8-13)17(24)20-12-6-7-15(25-2)14(19)9-12/h3-9H,1-2H3,(H,20,24)
InChIKeyVVCUFCJBLLJNPS-UHFFFAOYSA-N
XLogP3.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55881177
2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 9404832
N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 26085730
N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 46399207
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17435427
2-(3-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyltriazole-4-carboxamide
CID 78892446
N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 154839957
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
3-bromo-N-[2-(3-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 19577633
2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide
CID 87032434
2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine
CID 110452762
2-(3-chlorophenyl)-5-methyl-N-prop-2-ynyltriazole-4-carboxamide
CID 30601244

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 78882498) is 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide is COc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)nc2C)cc1F.
What is the InChIKey of 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is VVCUFCJBLLJNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O2/c1-10-16(22-23(21-10)13-5-3-4-11(18)8-13)17(24)20-12-6-7-15(25-2)14(19)9-12/h3-9H,1-2H3,(H,20,24).
What are the key properties of 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 360.78 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 78882498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).