N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide

C16H19F2NO3S — CID 42940163

IUPACN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide
SMILESO=C(c1cc(F)cc(F)c1)N(C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H19F2NO3S/c17-12-7-11(8-13(18)9-12)16(20)19(14-3-1-2-4-14)15-5-6-23(21,22)10-15/h7-9,14-15H,1-6,10H2
InChIKeyOZJNIUZBSRFJGX-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.54
Rot. Bonds3

About N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide

N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide (PubChem CID 42940163) has the molecular formula C16H19F2NO3S and a molecular weight of 343.40 g/mol. Its IUPAC name is N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide
PubChem CID42940163
Molecular FormulaC16H19F2NO3S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC NameN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide
SMILESO=C(c1cc(F)cc(F)c1)N(C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H19F2NO3S/c17-12-7-11(8-13(18)9-12)16(20)19(14-3-1-2-4-14)15-5-6-23(21,22)10-15/h7-9,14-15H,1-6,10H2
InChIKeyOZJNIUZBSRFJGX-UHFFFAOYSA-N
XLogP2.54
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-fluorobenzamide
CID 25471531
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide
CID 136531983
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]thiophene-3-carboxamide
CID 99577852
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-methylbenzamide
CID 75868233
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 7478334
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
CID 60605416
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide
CID 99577019
2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide
CID 166208442
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide
CID 136531982
4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide
CID 110744264
N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 43061886
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 63050092

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide?
The IUPAC name of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide (CID 42940163) is N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide.
What is the SMILES notation for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide?
The canonical SMILES for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide is O=C(c1cc(F)cc(F)c1)N(C1CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide?
The InChIKey is OZJNIUZBSRFJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO3S/c17-12-7-11(8-13(18)9-12)16(20)19(14-3-1-2-4-14)15-5-6-23(21,22)10-15/h7-9,14-15H,1-6,10H2.
What are the key properties of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide?
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide has a molecular weight of 343.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide is sourced from PubChem (CID 42940163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).