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

C25H21F2N3O3 — CID 42851608

IUPAC3-[[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1F)c1cccc(CN2C(=O)CC(c3ccc(F)cc3)NC2=O)c1
InChIInChI=1S/C25H21F2N3O3/c26-20-10-8-17(9-11-20)22-13-23(31)30(25(33)29-22)15-16-4-3-6-18(12-16)24(32)28-14-19-5-1-2-7-21(19)27/h1-12,22H,13-15H2,(H,28,32)(H,29,33)
InChIKeyGKKGZFIJDIJYMM-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.08
Rot. Bonds6

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

3-[[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 42851608) has the molecular formula C25H21F2N3O3 and a molecular weight of 449.46 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID42851608
Molecular FormulaC25H21F2N3O3
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Name3-[[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1F)c1cccc(CN2C(=O)CC(c3ccc(F)cc3)NC2=O)c1
InChIInChI=1S/C25H21F2N3O3/c26-20-10-8-17(9-11-20)22-13-23(31)30(25(33)29-22)15-16-4-3-6-18(12-16)24(32)28-14-19-5-1-2-7-21(19)27/h1-12,22H,13-15H2,(H,28,32)(H,29,33)
InChIKeyGKKGZFIJDIJYMM-UHFFFAOYSA-N
XLogP4.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione
CID 154846556
3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 93329251
3-[(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)methyl]-N-(1-phenylethyl)benzamide
CID 42851590
3-[[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-6-phenyl-1,3-diazinane-2,4-dione
CID 42871389
3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 42850898
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244
2-[(4S)-2,6-dioxo-4-(3-phenoxyphenyl)-1,3-diazinan-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 25465448
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051825
3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63793552
(3S)-N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93017732
N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide
CID 8869243

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 3-[[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide (CID 42851608) is 3-[[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 3-[[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide is O=C(NCc1ccccc1F)c1cccc(CN2C(=O)CC(c3ccc(F)cc3)NC2=O)c1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is GKKGZFIJDIJYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O3/c26-20-10-8-17(9-11-20)22-13-23(31)30(25(33)29-22)15-16-4-3-6-18(12-16)24(32)28-14-19-5-1-2-7-21(19)27/h1-12,22H,13-15H2,(H,28,32)(H,29,33).
What are the key properties of 3-[[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide?
3-[[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 449.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 42851608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).