2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide

C24H19Cl3N4O — CID 59363260

IUPAC2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)Cn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C24H19Cl3N4O/c1-15-4-2-3-5-17(15)13-28-22(32)14-31-29-23(16-6-8-18(25)9-7-16)24(30-31)20-11-10-19(26)12-21(20)27/h2-12H,13-14H2,1H3,(H,28,32)
InChIKeyTVIOHFURFYYOSG-UHFFFAOYSA-N
MW485.80 g/mol
LogP6.20
Rot. Bonds6

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

2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 59363260) has the molecular formula C24H19Cl3N4O and a molecular weight of 485.80 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID59363260
Molecular FormulaC24H19Cl3N4O
Molecular Weight485.80 g/mol
Exact Mass484.06
IUPAC Name2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)Cn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C24H19Cl3N4O/c1-15-4-2-3-5-17(15)13-28-22(32)14-31-29-23(16-6-8-18(25)9-7-16)24(30-31)20-11-10-19(26)12-21(20)27/h2-12H,13-14H2,1H3,(H,28,32)
InChIKeyTVIOHFURFYYOSG-UHFFFAOYSA-N
XLogP6.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.80
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide (CID 59363260) is 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)Cn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is TVIOHFURFYYOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl3N4O/c1-15-4-2-3-5-17(15)13-28-22(32)14-31-29-23(16-6-8-18(25)9-7-16)24(30-31)20-11-10-19(26)12-21(20)27/h2-12H,13-14H2,1H3,(H,28,32).
What are the key properties of 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide?
2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 485.80 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 59363260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).