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

C16H17ClFN3O3 — CID 9146871

IUPACN-(3-chloro-2-fluorophenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C16H17ClFN3O3/c17-10-4-3-5-11(13(10)18)19-12(22)6-9-21-14(23)16(20-15(21)24)7-1-2-8-16/h3-5H,1-2,6-9H2,(H,19,22)(H,20,24)
InChIKeyPNNCGGLAFIIGQV-UHFFFAOYSA-N
MW353.78 g/mol
LogP2.67
Rot. Bonds4

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

N-(3-chloro-2-fluorophenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (PubChem CID 9146871) has the molecular formula C16H17ClFN3O3 and a molecular weight of 353.78 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
PubChem CID9146871
Molecular FormulaC16H17ClFN3O3
Molecular Weight353.78 g/mol
Exact Mass353.09
IUPAC NameN-(3-chloro-2-fluorophenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C16H17ClFN3O3/c17-10-4-3-5-11(13(10)18)19-12(22)6-9-21-14(23)16(20-15(21)24)7-1-2-8-16/h3-5H,1-2,6-9H2,(H,19,22)(H,20,24)
InChIKeyPNNCGGLAFIIGQV-UHFFFAOYSA-N
XLogP2.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 52.67
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 N-(3-chloro-2-fluorophenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (CID 9146871) is N-(3-chloro-2-fluorophenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(Cl)c1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The InChIKey is PNNCGGLAFIIGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O3/c17-10-4-3-5-11(13(10)18)19-12(22)6-9-21-14(23)16(20-15(21)24)7-1-2-8-16/h3-5H,1-2,6-9H2,(H,19,22)(H,20,24).
What are the key properties of N-(3-chloro-2-fluorophenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
N-(3-chloro-2-fluorophenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide has a molecular weight of 353.78 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is sourced from PubChem (CID 9146871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).