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

C11H7Cl2F3N4O — CID 78805519

IUPAC2-(3,4-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H7Cl2F3N4O/c12-6-2-1-5(3-7(6)13)4-8(21)17-10-18-9(19-20-10)11(14,15)16/h1-3H,4H2,(H2,17,18,19,20,21)
InChIKeyCQQYDRHTEAGARF-UHFFFAOYSA-N
MW339.10 g/mol
LogP3.31
Rot. Bonds3

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

2-(3,4-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 78805519) has the molecular formula C11H7Cl2F3N4O and a molecular weight of 339.10 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID78805519
Molecular FormulaC11H7Cl2F3N4O
Molecular Weight339.10 g/mol
Exact Mass337.99
IUPAC Name2-(3,4-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H7Cl2F3N4O/c12-6-2-1-5(3-7(6)13)4-8(21)17-10-18-9(19-20-10)11(14,15)16/h1-3H,4H2,(H2,17,18,19,20,21)
InChIKeyCQQYDRHTEAGARF-UHFFFAOYSA-N
XLogP3.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]benzamide
CID 2125546
N-[5-(4-chlorobenzyl)-4H-1,2,4-triazol-3-yl]propanamide
CID 53015131
N-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-methylpropanamide
CID 53015135
4-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2340685
5-(3,4-Dichlorobenzyl)-2-[(3-methyl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 137003956
2-chloro-N-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]benzamide
CID 2426775
2-(3,4-dichlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246819
2-(4-chlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246827
3,4-dichloro-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 9246914
3-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 33505247
2-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 33506728
2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36579222

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 78805519) is 2-(3,4-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is CQQYDRHTEAGARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F3N4O/c12-6-2-1-5(3-7(6)13)4-8(21)17-10-18-9(19-20-10)11(14,15)16/h1-3H,4H2,(H2,17,18,19,20,21).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(3,4-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 339.10 g/mol, XLogP of 3.31, 3 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-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 78805519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).