N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

C17H22FNO3S — CID 110419576

IUPACN-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCC1CCS(=O)(=O)C1)C1(c2ccccc2F)CC1
InChIInChI=1S/C17H22FNO3S/c18-15-6-2-1-5-14(15)17(8-9-17)16(20)19-10-3-4-13-7-11-23(21,22)12-13/h1-2,5-6,13H,3-4,7-12H2,(H,19,20)
InChIKeyKWXQEDCVJGJZAD-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.19
Rot. Bonds6

About N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 110419576) has the molecular formula C17H22FNO3S and a molecular weight of 339.43 g/mol. Its IUPAC name is N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID110419576
Molecular FormulaC17H22FNO3S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC NameN-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCC1CCS(=O)(=O)C1)C1(c2ccccc2F)CC1
InChIInChI=1S/C17H22FNO3S/c18-15-6-2-1-5-14(15)17(8-9-17)16(20)19-10-3-4-13-7-11-23(21,22)12-13/h1-2,5-6,13H,3-4,7-12H2,(H,19,20)
InChIKeyKWXQEDCVJGJZAD-UHFFFAOYSA-N
XLogP2.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 110438309
2-chloro-N-[3-(1,1-dioxothiolan-3-yl)propyl]benzamide
CID 110418920
1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide
CID 110436859
1-(2-fluorophenyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 110438277
1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
CID 110437588
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110722984
N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 110438323
N-[3-(1,1-dioxothiolan-3-yl)propyl]pyridine-4-carboxamide
CID 110418925
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(3-fluorophenyl)acetamide
CID 110664939
(E)-N-[3-(1,1-dioxothiolan-3-yl)propyl]-3-phenylbut-2-enamide
CID 110417118
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-phenoxyacetamide
CID 110418906
3-bromo-N-[3-(1,1-dioxothiolan-3-yl)propyl]benzamide
CID 110602969

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 110419576) is N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is O=C(NCCCC1CCS(=O)(=O)C1)C1(c2ccccc2F)CC1.
What is the InChIKey of N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is KWXQEDCVJGJZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3S/c18-15-6-2-1-5-14(15)17(8-9-17)16(20)19-10-3-4-13-7-11-23(21,22)12-13/h1-2,5-6,13H,3-4,7-12H2,(H,19,20).
What are the key properties of N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 339.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110419576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).