4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(2-methylpropyl)benzamide

C24H28ClN5O3 — CID 58578713

IUPAC4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H28ClN5O3/c1-15(2)13-26-21(31)18-7-11-20(12-8-18)27-22-28-23(32)30(16(3)4)24(33)29(22)14-17-5-9-19(25)10-6-17/h5-12,15-16H,13-14H2,1-4H3,(H,26,31)(H,27,28,32)
InChIKeyHXHVMCCJJHMFTF-UHFFFAOYSA-N
MW469.97 g/mol
LogP3.82
Rot. Bonds8

About 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(2-methylpropyl)benzamide

4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 58578713) has the molecular formula C24H28ClN5O3 and a molecular weight of 469.97 g/mol. Its IUPAC name is 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(2-methylpropyl)benzamide
PubChem CID58578713
Molecular FormulaC24H28ClN5O3
Molecular Weight469.97 g/mol
Exact Mass469.19
IUPAC Name4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H28ClN5O3/c1-15(2)13-26-21(31)18-7-11-20(12-8-18)27-22-28-23(32)30(16(3)4)24(33)29(22)14-17-5-9-19(25)10-6-17/h5-12,15-16H,13-14H2,1-4H3,(H,26,31)(H,27,28,32)
InChIKeyHXHVMCCJJHMFTF-UHFFFAOYSA-N
XLogP3.82
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(2-methylpropyl)benzamide (CID 58578713) is 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is HXHVMCCJJHMFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3/c1-15(2)13-26-21(31)18-7-11-20(12-8-18)27-22-28-23(32)30(16(3)4)24(33)29(22)14-17-5-9-19(25)10-6-17/h5-12,15-16H,13-14H2,1-4H3,(H,26,31)(H,27,28,32).
What are the key properties of 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(2-methylpropyl)benzamide?
4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 469.97 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 58578713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).