2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide

C14H17F2NO2S — CID 103279883

IUPAC2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide
SMILESO=C(NCC1CCC(O)C1)c1ccccc1SC(F)F
InChIInChI=1S/C14H17F2NO2S/c15-14(16)20-12-4-2-1-3-11(12)13(19)17-8-9-5-6-10(18)7-9/h1-4,9-10,14,18H,5-8H2,(H,17,19)
InChIKeyPAAAEYHJRMJBMR-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.89
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide

2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide (PubChem CID 103279883) has the molecular formula C14H17F2NO2S and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide
PubChem CID103279883
Molecular FormulaC14H17F2NO2S
Molecular Weight301.36 g/mol
Exact Mass301.09
IUPAC Name2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide
SMILESO=C(NCC1CCC(O)C1)c1ccccc1SC(F)F
InChIInChI=1S/C14H17F2NO2S/c15-14(16)20-12-4-2-1-3-11(12)13(19)17-8-9-5-6-10(18)7-9/h1-4,9-10,14,18H,5-8H2,(H,17,19)
InChIKeyPAAAEYHJRMJBMR-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103280038
N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide
CID 103280198
N-[(3-hydroxycyclohexyl)methyl]-2-(3-methylbut-2-enylsulfanyl)benzamide
CID 111460429
N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide
CID 106127010
N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide
CID 115594443
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
N-[(3-hydroxycyclopentyl)methyl]-1-benzofuran-3-carboxamide
CID 103279843
N-[(3-hydroxycyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103280554
3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide
CID 111459782
4,5-difluoro-2-[(3-hydroxycyclopentyl)methylcarbamoyl]benzoic acid
CID 106120281
N-[(3-bromocyclohexyl)methyl]-2-methylsulfanylbenzamide
CID 114147792
N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride
CID 119382897

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide (CID 103279883) is 2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide is O=C(NCC1CCC(O)C1)c1ccccc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The InChIKey is PAAAEYHJRMJBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2S/c15-14(16)20-12-4-2-1-3-11(12)13(19)17-8-9-5-6-10(18)7-9/h1-4,9-10,14,18H,5-8H2,(H,17,19).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide?
2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide has a molecular weight of 301.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide is sourced from PubChem (CID 103279883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).