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

C22H24FN3O3 — CID 42851595

IUPAC2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide
SMILESCCC(C(=O)NC(C)c1ccccc1)N1C(=O)CC(c2cccc(F)c2)NC1=O
InChIInChI=1S/C22H24FN3O3/c1-3-19(21(28)24-14(2)15-8-5-4-6-9-15)26-20(27)13-18(25-22(26)29)16-10-7-11-17(23)12-16/h4-12,14,18-19H,3,13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyANDGHFINOBMRNM-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.46
Rot. Bonds6

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

2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide (PubChem CID 42851595) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide
PubChem CID42851595
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide
SMILESCCC(C(=O)NC(C)c1ccccc1)N1C(=O)CC(c2cccc(F)c2)NC1=O
InChIInChI=1S/C22H24FN3O3/c1-3-19(21(28)24-14(2)15-8-5-4-6-9-15)26-20(27)13-18(25-22(26)29)16-10-7-11-17(23)12-16/h4-12,14,18-19H,3,13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyANDGHFINOBMRNM-UHFFFAOYSA-N
XLogP3.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide with MolForge

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Related Compounds

2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide
CID 42851579
3-[(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)methyl]-N-(1-phenylethyl)benzamide
CID 42851590
(2S)-2-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrrolidine-1-carbothioamide
CID 97021167
(2R)-2-(3-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrrolidine-1-carbothioamide
CID 97021166
2-(3-fluorophenyl)-N-(1-phenylethyl)pyrrolidine-1-carbothioamide
CID 71890655
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365342
3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide
CID 42703749
1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one
CID 116978671
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide?
The IUPAC name of 2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide (CID 42851595) is 2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide?
The canonical SMILES for 2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide is CCC(C(=O)NC(C)c1ccccc1)N1C(=O)CC(c2cccc(F)c2)NC1=O.
What is the InChIKey of 2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide?
The InChIKey is ANDGHFINOBMRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-3-19(21(28)24-14(2)15-8-5-4-6-9-15)26-20(27)13-18(25-22(26)29)16-10-7-11-17(23)12-16/h4-12,14,18-19H,3,13H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide?
2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide has a molecular weight of 397.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 42851595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).