N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide

C14H16F3NO2S — CID 110015903

IUPACN-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1cc(F)ccc1SCC(F)F)C1CCCC1O
InChIInChI=1S/C14H16F3NO2S/c15-8-4-5-12(21-7-13(16)17)10(6-8)18-14(20)9-2-1-3-11(9)19/h4-6,9,11,13,19H,1-3,7H2,(H,18,20)
InChIKeyKTCQQAKCEGFKBT-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.28
Rot. Bonds5

About N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide

N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110015903) has the molecular formula C14H16F3NO2S and a molecular weight of 319.35 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110015903
Molecular FormulaC14H16F3NO2S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC NameN-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1cc(F)ccc1SCC(F)F)C1CCCC1O
InChIInChI=1S/C14H16F3NO2S/c15-8-4-5-12(21-7-13(16)17)10(6-8)18-14(20)9-2-1-3-11(9)19/h4-6,9,11,13,19H,1-3,7H2,(H,18,20)
InChIKeyKTCQQAKCEGFKBT-UHFFFAOYSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]cyclohexane-1-carboxamide
CID 119795110
N-(5-fluoro-2-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013638
N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide
CID 119795114
1-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437801
1-(2-cyanoethyl)-1-cyclopropyl-3-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]urea
CID 71992086
(3aS,6aR)-2-[[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122085155
2-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]pentanamide;hydrochloride
CID 119330052
N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide
CID 119939533
2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 64822060
1-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111474919
N-(2-fluoro-5-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013794
N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016234

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide (CID 110015903) is N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide is O=C(Nc1cc(F)ccc1SCC(F)F)C1CCCC1O.
What is the InChIKey of N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is KTCQQAKCEGFKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2S/c15-8-4-5-12(21-7-13(16)17)10(6-8)18-14(20)9-2-1-3-11(9)19/h4-6,9,11,13,19H,1-3,7H2,(H,18,20).
What are the key properties of N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide?
N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 319.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110015903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).