2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-phenylacetamide

C22H14Cl4N4O — CID 44571692

IUPAC2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-phenylacetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1)Nc1ccccc1
InChIInChI=1S/C22H14Cl4N4O/c23-13-6-8-16(18(25)10-13)21-22(17-9-7-14(24)11-19(17)26)29-30(28-21)12-20(31)27-15-4-2-1-3-5-15/h1-11H,12H2,(H,27,31)
InChIKeyOIHLAEIHISDJGA-UHFFFAOYSA-N
MW492.19 g/mol
LogP6.86
Rot. Bonds5

About 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-phenylacetamide

2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-phenylacetamide (PubChem CID 44571692) has the molecular formula C22H14Cl4N4O and a molecular weight of 492.19 g/mol. Its IUPAC name is 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-phenylacetamide
PubChem CID44571692
Molecular FormulaC22H14Cl4N4O
Molecular Weight492.19 g/mol
Exact Mass489.99
IUPAC Name2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-phenylacetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1)Nc1ccccc1
InChIInChI=1S/C22H14Cl4N4O/c23-13-6-8-16(18(25)10-13)21-22(17-9-7-14(24)11-19(17)26)29-30(28-21)12-20(31)27-15-4-2-1-3-5-15/h1-11H,12H2,(H,27,31)
InChIKeyOIHLAEIHISDJGA-UHFFFAOYSA-N
XLogP6.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.19
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-phenylacetamide (CID 44571692) is 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-phenylacetamide is O=C(Cn1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1)Nc1ccccc1.
What is the InChIKey of 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-phenylacetamide?
The InChIKey is OIHLAEIHISDJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl4N4O/c23-13-6-8-16(18(25)10-13)21-22(17-9-7-14(24)11-19(17)26)29-30(28-21)12-20(31)27-15-4-2-1-3-5-15/h1-11H,12H2,(H,27,31).
What are the key properties of 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-phenylacetamide?
2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-phenylacetamide has a molecular weight of 492.19 g/mol, XLogP of 6.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 44571692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).