2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide

C19H24FN3O3 — CID 2438290

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O3/c20-15-8-6-14(7-9-15)12-21-16(24)13-23-17(25)19(22-18(23)26)10-4-2-1-3-5-11-19/h6-9H,1-5,10-13H2,(H,21,24)(H,22,26)
InChIKeyNFLVNEQWVYCMPP-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.48
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 2438290) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID2438290
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O3/c20-15-8-6-14(7-9-15)12-21-16(24)13-23-17(25)19(22-18(23)26)10-4-2-1-3-5-11-19/h6-9H,1-5,10-13H2,(H,21,24)(H,22,26)
InChIKeyNFLVNEQWVYCMPP-UHFFFAOYSA-N
XLogP2.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 2438290) is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is NFLVNEQWVYCMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c20-15-8-6-14(7-9-15)12-21-16(24)13-23-17(25)19(22-18(23)26)10-4-2-1-3-5-11-19/h6-9H,1-5,10-13H2,(H,21,24)(H,22,26).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 361.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2438290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).