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

C16H11Cl2FN4O — CID 9246819

IUPAC2-(3,4-dichlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1n[nH]c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H11Cl2FN4O/c17-12-6-1-9(7-13(12)18)8-14(24)20-16-21-15(22-23-16)10-2-4-11(19)5-3-10/h1-7H,8H2,(H2,20,21,22,23,24)
InChIKeyWRBSDJYRUPMJFW-UHFFFAOYSA-N
MW365.20 g/mol
LogP4.10
Rot. Bonds4

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

2-(3,4-dichlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 9246819) has the molecular formula C16H11Cl2FN4O and a molecular weight of 365.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID9246819
Molecular FormulaC16H11Cl2FN4O
Molecular Weight365.20 g/mol
Exact Mass364.03
IUPAC Name2-(3,4-dichlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1n[nH]c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H11Cl2FN4O/c17-12-6-1-9(7-13(12)18)8-14(24)20-16-21-15(22-23-16)10-2-4-11(19)5-3-10/h1-7H,8H2,(H2,20,21,22,23,24)
InChIKeyWRBSDJYRUPMJFW-UHFFFAOYSA-N
XLogP4.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 9246819) is 2-(3,4-dichlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)Nc1n[nH]c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is WRBSDJYRUPMJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN4O/c17-12-6-1-9(7-13(12)18)8-14(24)20-16-21-15(22-23-16)10-2-4-11(19)5-3-10/h1-7H,8H2,(H2,20,21,22,23,24).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(3,4-dichlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 365.20 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 9246819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).