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

C19H20FN3O4 — CID 42851579

IUPAC2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1ccco1)N1C(=O)CC(c2ccc(F)cc2)NC1=O
InChIInChI=1S/C19H20FN3O4/c1-2-16(18(25)21-11-14-4-3-9-27-14)23-17(24)10-15(22-19(23)26)12-5-7-13(20)8-6-12/h3-9,15-16H,2,10-11H2,1H3,(H,21,25)(H,22,26)
InChIKeyWSJDKOMBADWDDG-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.50
Rot. Bonds6

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

2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide (PubChem CID 42851579) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide
PubChem CID42851579
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1ccco1)N1C(=O)CC(c2ccc(F)cc2)NC1=O
InChIInChI=1S/C19H20FN3O4/c1-2-16(18(25)21-11-14-4-3-9-27-14)23-17(24)10-15(22-19(23)26)12-5-7-13(20)8-6-12/h3-9,15-16H,2,10-11H2,1H3,(H,21,25)(H,22,26)
InChIKeyWSJDKOMBADWDDG-UHFFFAOYSA-N
XLogP2.50
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457705
(2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92864267
2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide
CID 42851595
2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 42868332
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 51291702
2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide
CID 19536831
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
N-ethyl-4-[(1S)-1-[(4-fluorobenzoyl)amino]-2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-1-carboxamide
CID 93178844
2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 42814442
3-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 95120065
2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide (CID 42851579) is 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide is CCC(C(=O)NCc1ccco1)N1C(=O)CC(c2ccc(F)cc2)NC1=O.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide?
The InChIKey is WSJDKOMBADWDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-2-16(18(25)21-11-14-4-3-9-27-14)23-17(24)10-15(22-19(23)26)12-5-7-13(20)8-6-12/h3-9,15-16H,2,10-11H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide?
2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide has a molecular weight of 373.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 42851579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).