N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide

C14H16FNO3S — CID 60605416

IUPACN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
SMILESO=C(c1ccccc1F)N(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H16FNO3S/c15-13-4-2-1-3-12(13)14(17)16(10-5-6-10)11-7-8-20(18,19)9-11/h1-4,10-11H,5-9H2
InChIKeyDMKGYGRVZUCJSN-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.62
Rot. Bonds3

About N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide (PubChem CID 60605416) has the molecular formula C14H16FNO3S and a molecular weight of 297.35 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
PubChem CID60605416
Molecular FormulaC14H16FNO3S
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
SMILESO=C(c1ccccc1F)N(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H16FNO3S/c15-13-4-2-1-3-12(13)14(17)16(10-5-6-10)11-7-8-20(18,19)9-11/h1-4,10-11H,5-9H2
InChIKeyDMKGYGRVZUCJSN-UHFFFAOYSA-N
XLogP1.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-iodobenzamide
CID 55452976
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-fluorobenzoate
CID 7873265
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide
CID 99577019
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-methylbenzamide
CID 75868233
2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide
CID 166208442
N-[(3R)-1,1-dioxothiolan-3-yl]-2-fluoro-N-(naphthalen-1-ylmethyl)benzamide
CID 40851294
N-[(3S)-1,1-dioxothiolan-3-yl]-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 7379163
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-fluorobenzamide
CID 25471531
N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-oxochromene-3-carboxamide
CID 95905742
N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide
CID 112984282
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide
CID 42940163
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 7393664

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide?
The IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide (CID 60605416) is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide.
What is the SMILES notation for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide?
The canonical SMILES for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide is O=C(c1ccccc1F)N(C1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide?
The InChIKey is DMKGYGRVZUCJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S/c15-13-4-2-1-3-12(13)14(17)16(10-5-6-10)11-7-8-20(18,19)9-11/h1-4,10-11H,5-9H2.
What are the key properties of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide?
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide has a molecular weight of 297.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 60605416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).