2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide

C18H13Cl2N7O — CID 78878389

IUPAC2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide
SMILESCc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1n[nH]c(-c2ccccc2Cl)n1
InChIInChI=1S/C18H13Cl2N7O/c1-10-15(26-27(25-10)12-6-4-5-11(19)9-12)17(28)22-18-21-16(23-24-18)13-7-2-3-8-14(13)20/h2-9H,1H3,(H2,21,22,23,24,28)
InChIKeyYKQFHUYQUTXZFY-UHFFFAOYSA-N
MW414.26 g/mol
LogP3.92
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide

2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide (PubChem CID 78878389) has the molecular formula C18H13Cl2N7O and a molecular weight of 414.26 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide
PubChem CID78878389
Molecular FormulaC18H13Cl2N7O
Molecular Weight414.26 g/mol
Exact Mass413.06
IUPAC Name2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide
SMILESCc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1n[nH]c(-c2ccccc2Cl)n1
InChIInChI=1S/C18H13Cl2N7O/c1-10-15(26-27(25-10)12-6-4-5-11(19)9-12)17(28)22-18-21-16(23-24-18)13-7-2-3-8-14(13)20/h2-9H,1H3,(H2,21,22,23,24,28)
InChIKeyYKQFHUYQUTXZFY-UHFFFAOYSA-N
XLogP3.92
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide
CID 78878372
2-(3-chlorophenyl)-5-methyl-N-prop-2-ynyltriazole-4-carboxamide
CID 30601244
4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide
CID 60514755
2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide
CID 87032434
2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 9455454
2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 78882498
2-(3-chlorophenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
CID 4963637
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358
2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 78901049
3-(benzenesulfonylmethyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 60514504
N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 26085730
2-(3-chlorophenyl)-N-(2-ethoxyethyl)-5-methyltriazole-4-carboxamide
CID 78903143

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide (CID 78878389) is 2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide is Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1n[nH]c(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide?
The InChIKey is YKQFHUYQUTXZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N7O/c1-10-15(26-27(25-10)12-6-4-5-11(19)9-12)17(28)22-18-21-16(23-24-18)13-7-2-3-8-14(13)20/h2-9H,1H3,(H2,21,22,23,24,28).
What are the key properties of 2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide?
2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide has a molecular weight of 414.26 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 78878389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).