N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

C17H14ClFN4O2 — CID 2144859

IUPACN-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C17H14ClFN4O2/c1-10-16(21-22-23(10)13-6-4-12(19)5-7-13)17(24)20-14-9-11(18)3-8-15(14)25-2/h3-9H,1-2H3,(H,20,24)
InChIKeySIBIAJQQDPGSOC-UHFFFAOYSA-N
MW360.78 g/mol
LogP3.63
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (PubChem CID 2144859) has the molecular formula C17H14ClFN4O2 and a molecular weight of 360.78 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
PubChem CID2144859
Molecular FormulaC17H14ClFN4O2
Molecular Weight360.78 g/mol
Exact Mass360.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C17H14ClFN4O2/c1-10-16(21-22-23(10)13-6-4-12(19)5-7-13)17(24)20-14-9-11(18)3-8-15(14)25-2/h3-9H,1-2H3,(H,20,24)
InChIKeySIBIAJQQDPGSOC-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

5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide
CID 27245734
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
CID 71791453
1-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55881177
N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 7245475
N-(5-chloro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7184617
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2150290
1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46857970
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651925
N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191963
(E)-N-(5-chloro-2-methoxyphenyl)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enamide
CID 8763394

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (CID 2144859) is N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is SIBIAJQQDPGSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O2/c1-10-16(21-22-23(10)13-6-4-12(19)5-7-13)17(24)20-14-9-11(18)3-8-15(14)25-2/h3-9H,1-2H3,(H,20,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-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 N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 2144859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).