N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

C17H19BrFN3O3 — CID 2701816

IUPACN-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H19BrFN3O3/c18-11-5-6-13(12(19)9-11)20-14(23)10-22-15(24)17(21-16(22)25)7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,20,23)(H,21,25)
InChIKeyMLGPEHVZTJZUKJ-UHFFFAOYSA-N
MW412.26 g/mol
LogP3.17
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (PubChem CID 2701816) has the molecular formula C17H19BrFN3O3 and a molecular weight of 412.26 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
PubChem CID2701816
Molecular FormulaC17H19BrFN3O3
Molecular Weight412.26 g/mol
Exact Mass411.06
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H19BrFN3O3/c18-11-5-6-13(12(19)9-11)20-14(23)10-22-15(24)17(21-16(22)25)7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,20,23)(H,21,25)
InChIKeyMLGPEHVZTJZUKJ-UHFFFAOYSA-N
XLogP3.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.26
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 91892515
N-(2-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701817
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2449682
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822036
N-(3,5-difluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 46665812
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2583508
N-(2,4-dibromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2558770
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 16552602
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-methylphenyl)acetamide
CID 2701809
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide
CID 2636302
N-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 51145756
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701850

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (CID 2701816) is N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The InChIKey is MLGPEHVZTJZUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN3O3/c18-11-5-6-13(12(19)9-11)20-14(23)10-22-15(24)17(21-16(22)25)7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,20,23)(H,21,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide has a molecular weight of 412.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is sourced from PubChem (CID 2701816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).