N-(2-fluoro-5-nitrophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C19H23FN4O5 — CID 4878366

IUPACN-(2-fluoro-5-nitrophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2=O
InChIInChI=1S/C19H23FN4O5/c1-11-7-18(2,3)10-19(8-11)16(26)23(17(27)22-19)9-15(25)21-14-6-12(24(28)29)4-5-13(14)20/h4-6,11H,7-10H2,1-3H3,(H,21,25)(H,22,27)
InChIKeyXNPSWGZYKSTYKE-UHFFFAOYSA-N
MW406.41 g/mol
LogP2.81
Rot. Bonds4

About N-(2-fluoro-5-nitrophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(2-fluoro-5-nitrophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 4878366) has the molecular formula C19H23FN4O5 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID4878366
Molecular FormulaC19H23FN4O5
Molecular Weight406.41 g/mol
Exact Mass406.17
IUPAC NameN-(2-fluoro-5-nitrophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2=O
InChIInChI=1S/C19H23FN4O5/c1-11-7-18(2,3)10-19(8-11)16(26)23(17(27)22-19)9-15(25)21-14-6-12(24(28)29)4-5-13(14)20/h4-6,11H,7-10H2,1-3H3,(H,21,25)(H,22,27)
InChIKeyXNPSWGZYKSTYKE-UHFFFAOYSA-N
XLogP2.81
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(4-fluorophenyl)acetamide
CID 2078174
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide
CID 3976162
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide
CID 4555282
N-(4-fluorophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2578364
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 5134575
N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-[7,7,9-trimethyl-2,4-bis(oxidanylidene)-1,3-diazaspiro[4.5]decan-3-yl]ethanamide
CID 16297714
N-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3598099
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-nitrophenyl)acetamide
CID 3879029
N-(2,6-difluorophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4297046
5-Ethyl-3-[(3-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 4796140
N-(3,4-difluorophenyl)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 8384868
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 16229544

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 4878366) is N-(2-fluoro-5-nitrophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2=O.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is XNPSWGZYKSTYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O5/c1-11-7-18(2,3)10-19(8-11)16(26)23(17(27)22-19)9-15(25)21-14-6-12(24(28)29)4-5-13(14)20/h4-6,11H,7-10H2,1-3H3,(H,21,25)(H,22,27).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(2-fluoro-5-nitrophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 406.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 4878366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).