2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide

C24H24Cl2N4O3 — CID 46004216

IUPAC2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCN(C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2cccc(Cl)c2)c1=O)C1CCCCC1
InChIInChI=1S/C24H24Cl2N4O3/c1-28(19-8-3-2-4-9-19)22(31)21-23(32)29(15-16-6-5-7-18(26)14-16)24(33)30(27-21)20-12-10-17(25)11-13-20/h5-7,10-14,19H,2-4,8-9,15H2,1H3
InChIKeyRRRXREIIRCDMKE-UHFFFAOYSA-N
MW487.39 g/mol
LogP4.15
Rot. Bonds5

About 2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide

2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 46004216) has the molecular formula C24H24Cl2N4O3 and a molecular weight of 487.39 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
PubChem CID46004216
Molecular FormulaC24H24Cl2N4O3
Molecular Weight487.39 g/mol
Exact Mass486.12
IUPAC Name2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCN(C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2cccc(Cl)c2)c1=O)C1CCCCC1
InChIInChI=1S/C24H24Cl2N4O3/c1-28(19-8-3-2-4-9-19)22(31)21-23(32)29(15-16-6-5-7-18(26)14-16)24(33)30(27-21)20-12-10-17(25)11-13-20/h5-7,10-14,19H,2-4,8-9,15H2,1H3
InChIKeyRRRXREIIRCDMKE-UHFFFAOYSA-N
XLogP4.15
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 46004216) is 2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is CN(C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2cccc(Cl)c2)c1=O)C1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The InChIKey is RRRXREIIRCDMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O3/c1-28(19-8-3-2-4-9-19)22(31)21-23(32)29(15-16-6-5-7-18(26)14-16)24(33)30(27-21)20-12-10-17(25)11-13-20/h5-7,10-14,19H,2-4,8-9,15H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 487.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 46004216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).