4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]benzamide

C19H17ClN4O2 — CID 174227504

IUPAC4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]benzamide
SMILESCC(C)c1cccc(-c2nc(-c3cc(C(N)=O)ccc3Cl)[nH]c(=O)n2)c1
InChIInChI=1S/C19H17ClN4O2/c1-10(2)11-4-3-5-13(8-11)17-22-18(24-19(26)23-17)14-9-12(16(21)25)6-7-15(14)20/h3-10H,1-2H3,(H2,21,25)(H,22,23,24,26)
InChIKeyXOLPGSFWKPUHRO-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.37
Rot. Bonds4

About 4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]benzamide

4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]benzamide (PubChem CID 174227504) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]benzamide
PubChem CID174227504
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]benzamide
SMILESCC(C)c1cccc(-c2nc(-c3cc(C(N)=O)ccc3Cl)[nH]c(=O)n2)c1
InChIInChI=1S/C19H17ClN4O2/c1-10(2)11-4-3-5-13(8-11)17-22-18(24-19(26)23-17)14-9-12(16(21)25)6-7-15(14)20/h3-10H,1-2H3,(H2,21,25)(H,22,23,24,26)
InChIKeyXOLPGSFWKPUHRO-UHFFFAOYSA-N
XLogP3.37
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]benzamide?
The IUPAC name of 4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]benzamide (CID 174227504) is 4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]benzamide.
What is the SMILES notation for 4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]benzamide?
The canonical SMILES for 4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]benzamide is CC(C)c1cccc(-c2nc(-c3cc(C(N)=O)ccc3Cl)[nH]c(=O)n2)c1.
What is the InChIKey of 4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]benzamide?
The InChIKey is XOLPGSFWKPUHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-10(2)11-4-3-5-13(8-11)17-22-18(24-19(26)23-17)14-9-12(16(21)25)6-7-15(14)20/h3-10H,1-2H3,(H2,21,25)(H,22,23,24,26).
What are the key properties of 4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]benzamide?
4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]benzamide has a molecular weight of 368.82 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]benzamide is sourced from PubChem (CID 174227504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).