2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide

C16H11ClF2N4O — CID 9246817

IUPAC2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1n[nH]c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H11ClF2N4O/c17-12-2-1-3-13(19)11(12)8-14(24)20-16-21-15(22-23-16)9-4-6-10(18)7-5-9/h1-7H,8H2,(H2,20,21,22,23,24)
InChIKeyXEJPDPYETSEOBQ-UHFFFAOYSA-N
MW348.74 g/mol
LogP3.58
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 9246817) has the molecular formula C16H11ClF2N4O and a molecular weight of 348.74 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID9246817
Molecular FormulaC16H11ClF2N4O
Molecular Weight348.74 g/mol
Exact Mass348.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1n[nH]c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H11ClF2N4O/c17-12-2-1-3-13(19)11(12)8-14(24)20-16-21-15(22-23-16)9-4-6-10(18)7-5-9/h1-7H,8H2,(H2,20,21,22,23,24)
InChIKeyXEJPDPYETSEOBQ-UHFFFAOYSA-N
XLogP3.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 71702594
2-(2-chloro-6-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
CID 27992833
2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 11537271
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
CID 9246778
2-(2-chloro-6-fluorophenyl)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38779483
N-(2-chloro-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 7959366
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-fluorobenzohydrazide
CID 8713670
[3-[3-[(2-chloro-6-fluorophenyl)methylamino]-1H-1,2,4-triazol-5-yl]phenyl] acetate
CID 130429241
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
N-[3-[3-[(2-chloro-6-fluorophenyl)methylamino]-1H-1,2,4-triazol-5-yl]phenyl]but-2-ynamide
CID 130429217
2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246888
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 9246817) is 2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide is O=C(Cc1c(F)cccc1Cl)Nc1n[nH]c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is XEJPDPYETSEOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O/c17-12-2-1-3-13(19)11(12)8-14(24)20-16-21-15(22-23-16)9-4-6-10(18)7-5-9/h1-7H,8H2,(H2,20,21,22,23,24).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 348.74 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 9246817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).