3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide

C18H16ClN3O3 — CID 146102608

IUPAC3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide
SMILESNC(=O)c1cccc(CN2C(=O)CC(c3cccc(Cl)c3)NC2=O)c1
InChIInChI=1S/C18H16ClN3O3/c19-14-6-2-4-12(8-14)15-9-16(23)22(18(25)21-15)10-11-3-1-5-13(7-11)17(20)24/h1-8,15H,9-10H2,(H2,20,24)(H,21,25)
InChIKeyCPFZIOHXBYQOSB-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.62
Rot. Bonds4

About 3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide

3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide (PubChem CID 146102608) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide
PubChem CID146102608
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide
SMILESNC(=O)c1cccc(CN2C(=O)CC(c3cccc(Cl)c3)NC2=O)c1
InChIInChI=1S/C18H16ClN3O3/c19-14-6-2-4-12(8-14)15-9-16(23)22(18(25)21-15)10-11-3-1-5-13(7-11)17(20)24/h1-8,15H,9-10H2,(H2,20,24)(H,21,25)
InChIKeyCPFZIOHXBYQOSB-UHFFFAOYSA-N
XLogP2.62
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide?
The IUPAC name of 3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide (CID 146102608) is 3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide is NC(=O)c1cccc(CN2C(=O)CC(c3cccc(Cl)c3)NC2=O)c1.
What is the InChIKey of 3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide?
The InChIKey is CPFZIOHXBYQOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c19-14-6-2-4-12(8-14)15-9-16(23)22(18(25)21-15)10-11-3-1-5-13(7-11)17(20)24/h1-8,15H,9-10H2,(H2,20,24)(H,21,25).
What are the key properties of 3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide?
3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide has a molecular weight of 357.80 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide is sourced from PubChem (CID 146102608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).