N-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide

C16H19FN4O3 — CID 18569566

IUPACN-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide
SMILESCN1C(=O)NC2(CCN(CC(=O)Nc3cccc(F)c3)CC2)C1=O
InChIInChI=1S/C16H19FN4O3/c1-20-14(23)16(19-15(20)24)5-7-21(8-6-16)10-13(22)18-12-4-2-3-11(17)9-12/h2-4,9H,5-8,10H2,1H3,(H,18,22)(H,19,24)
InChIKeyPOYRWCKOTLEFKM-UHFFFAOYSA-N
MW334.35 g/mol
LogP0.78
Rot. Bonds3

About N-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide

N-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide (PubChem CID 18569566) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide
PubChem CID18569566
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC NameN-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide
SMILESCN1C(=O)NC2(CCN(CC(=O)Nc3cccc(F)c3)CC2)C1=O
InChIInChI=1S/C16H19FN4O3/c1-20-14(23)16(19-15(20)24)5-7-21(8-6-16)10-13(22)18-12-4-2-3-11(17)9-12/h2-4,9H,5-8,10H2,1H3,(H,18,22)(H,19,24)
InChIKeyPOYRWCKOTLEFKM-UHFFFAOYSA-N
XLogP0.78
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020303
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide
CID 43252639
N-(3-fluorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8690682
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 8711083
2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methylphenyl)acetamide
CID 20962366
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 30723158
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8538416
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide (CID 18569566) is N-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide is CN1C(=O)NC2(CCN(CC(=O)Nc3cccc(F)c3)CC2)C1=O.
What is the InChIKey of N-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is POYRWCKOTLEFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-20-14(23)16(19-15(20)24)5-7-21(8-6-16)10-13(22)18-12-4-2-3-11(17)9-12/h2-4,9H,5-8,10H2,1H3,(H,18,22)(H,19,24).
What are the key properties of N-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide?
N-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 334.35 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 18569566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).