2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide

C23H14Cl6N4O — CID 59363230

IUPAC2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H14Cl6N4O/c24-13-2-4-15(18(27)8-13)22-23(16-5-3-14(25)9-19(16)28)32-33(31-22)11-21(34)30-10-12-1-6-17(26)20(29)7-12/h1-9H,10-11H2,(H,30,34)
InChIKeyULGVJCRRWAZIQF-UHFFFAOYSA-N
MW575.11 g/mol
LogP7.85
Rot. Bonds6

About 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide

2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide (PubChem CID 59363230) has the molecular formula C23H14Cl6N4O and a molecular weight of 575.11 g/mol. Its IUPAC name is 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
PubChem CID59363230
Molecular FormulaC23H14Cl6N4O
Molecular Weight575.11 g/mol
Exact Mass571.93
IUPAC Name2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H14Cl6N4O/c24-13-2-4-15(18(27)8-13)22-23(16-5-3-14(25)9-19(16)28)32-33(31-22)11-21(34)30-10-12-1-6-17(26)20(29)7-12/h1-9H,10-11H2,(H,30,34)
InChIKeyULGVJCRRWAZIQF-UHFFFAOYSA-N
XLogP7.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.11
LogP ≤ 57.85
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-[(3,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide (CID 59363230) is 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide is O=C(Cn1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
The InChIKey is ULGVJCRRWAZIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl6N4O/c24-13-2-4-15(18(27)8-13)22-23(16-5-3-14(25)9-19(16)28)32-33(31-22)11-21(34)30-10-12-1-6-17(26)20(29)7-12/h1-9H,10-11H2,(H,30,34).
What are the key properties of 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide has a molecular weight of 575.11 g/mol, XLogP of 7.85, 6 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-[(3,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 59363230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).