N-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide

C13H14F3NO2S — CID 63294918

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(NCC(O)C1CC1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO2S/c14-13(15,16)20-10-5-3-9(4-6-10)12(19)17-7-11(18)8-1-2-8/h3-6,8,11,18H,1-2,7H2,(H,17,19)
InChIKeyKIWDNPHNJDYZBF-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.80
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide

N-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 63294918) has the molecular formula C13H14F3NO2S and a molecular weight of 305.32 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide
PubChem CID63294918
Molecular FormulaC13H14F3NO2S
Molecular Weight305.32 g/mol
Exact Mass305.07
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(NCC(O)C1CC1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO2S/c14-13(15,16)20-10-5-3-9(4-6-10)12(19)17-7-11(18)8-1-2-8/h3-6,8,11,18H,1-2,7H2,(H,17,19)
InChIKeyKIWDNPHNJDYZBF-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
N-(cyclopropen-1-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 158445206
N-(2-acetamidoethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 30598296
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880
N-(2-cyclopropyl-2-hydroxyethyl)furan-3-carboxamide
CID 63294562
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
CID 95388210
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 80712294
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide
CID 63295326
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
CID 63294587

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide (CID 63294918) is N-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide is O=C(NCC(O)C1CC1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is KIWDNPHNJDYZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2S/c14-13(15,16)20-10-5-3-9(4-6-10)12(19)17-7-11(18)8-1-2-8/h3-6,8,11,18H,1-2,7H2,(H,17,19).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide?
N-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 305.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 63294918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).