1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide

C16H12FIN4O2 — CID 165154346

IUPAC1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(I)cc1NC(=O)c1cn(-c2ccc(F)c(O)c2)nn1
InChIInChI=1S/C16H12FIN4O2/c1-9-2-3-10(18)6-13(9)19-16(24)14-8-22(21-20-14)11-4-5-12(17)15(23)7-11/h2-8,23H,1H3,(H,19,24)
InChIKeyDWCZQNMYVONRRX-UHFFFAOYSA-N
MW438.20 g/mol
LogP3.28
Rot. Bonds3

About 1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide

1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide (PubChem CID 165154346) has the molecular formula C16H12FIN4O2 and a molecular weight of 438.20 g/mol. Its IUPAC name is 1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide
PubChem CID165154346
Molecular FormulaC16H12FIN4O2
Molecular Weight438.20 g/mol
Exact Mass438.00
IUPAC Name1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(I)cc1NC(=O)c1cn(-c2ccc(F)c(O)c2)nn1
InChIInChI=1S/C16H12FIN4O2/c1-9-2-3-10(18)6-13(9)19-16(24)14-8-22(21-20-14)11-4-5-12(17)15(23)7-11/h2-8,23H,1H3,(H,19,24)
InChIKeyDWCZQNMYVONRRX-UHFFFAOYSA-N
XLogP3.28
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.20
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-Butyltriazol-1-yl)phenyl]-3-(5-hydroxy-2-methylphenyl)urea
CID 162647417
1-[(2-fluorophenyl)methyl]-N-(2-hydroxy-5-methylphenyl)triazole-4-carboxamide
CID 136169719
N-[2-(4-hydroxyphenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide
CID 145976245
1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]triazole-4-carboxamide
CID 145977218
N-(4-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide
CID 162643850
N-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide
CID 162649394
1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide
CID 162657040
N-[2-amino-5-(4-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)triazole-4-carboxamide
CID 172452395
3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide
CID 134912596
6-fluoro-3-[1-(4-hydroxyphenyl)triazol-4-yl]-1H-quinolin-2-one
CID 130244550
N-(2-fluoro-3-methoxyphenyl)-N-[(3-hydroxyphenyl)methyl]-3-methyltriazole-4-carboxamide
CID 140251162
N-(5-chloro-2-methylphenyl)-1-(2-fluoro-3-hydroxyphenyl)triazole-4-carboxamide
CID 155591149

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide (CID 165154346) is 1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide is Cc1ccc(I)cc1NC(=O)c1cn(-c2ccc(F)c(O)c2)nn1.
What is the InChIKey of 1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide?
The InChIKey is DWCZQNMYVONRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FIN4O2/c1-9-2-3-10(18)6-13(9)19-16(24)14-8-22(21-20-14)11-4-5-12(17)15(23)7-11/h2-8,23H,1H3,(H,19,24).
What are the key properties of 1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide?
1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide has a molecular weight of 438.20 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-hydroxyphenyl)-N-(5-iodo-2-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 165154346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).