N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide

C17H18FN3O4 — CID 9390123

IUPACN-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(F)c1
InChIInChI=1S/C17H18FN3O4/c1-10(22)19-11-4-5-12(13(18)8-11)14(23)9-21-15(24)17(20-16(21)25)6-2-3-7-17/h4-5,8H,2-3,6-7,9H2,1H3,(H,19,22)(H,20,25)
InChIKeyCKHUNDLFVIYMFU-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.83
Rot. Bonds4

About N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide

N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide (PubChem CID 9390123) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide
PubChem CID9390123
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC NameN-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(F)c1
InChIInChI=1S/C17H18FN3O4/c1-10(22)19-11-4-5-12(13(18)8-11)14(23)9-21-15(24)17(20-16(21)25)6-2-3-7-17/h4-5,8H,2-3,6-7,9H2,1H3,(H,19,22)(H,20,25)
InChIKeyCKHUNDLFVIYMFU-UHFFFAOYSA-N
XLogP1.83
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.83
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-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2583508
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 4791328
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7170143
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2452438
N-(3,4-difluorophenyl)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]acetamide
CID 9401939
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 2568474
N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide
CID 7277275
N-(3,4-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622570
N-[2-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2-fluorophenyl]ethyl]acetamide
CID 46483879
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55800013

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide?
The IUPAC name of N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide (CID 9390123) is N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide is CC(=O)Nc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(F)c1.
What is the InChIKey of N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide?
The InChIKey is CKHUNDLFVIYMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-10(22)19-11-4-5-12(13(18)8-11)14(23)9-21-15(24)17(20-16(21)25)6-2-3-7-17/h4-5,8H,2-3,6-7,9H2,1H3,(H,19,22)(H,20,25).
What are the key properties of N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide?
N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide has a molecular weight of 347.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide is sourced from PubChem (CID 9390123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).