3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide

C13H15ClF3NO2 — CID 103915386

IUPAC3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCc1ccccc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H15ClF3NO2/c14-11-4-2-1-3-10(11)5-6-12(20)18(7-8-19)9-13(15,16)17/h1-4,19H,5-9H2
InChIKeyFUTSUUXQTWUZFJ-UHFFFAOYSA-N
MW309.71 g/mol
LogP2.66
Rot. Bonds6

About 3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide

3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103915386) has the molecular formula C13H15ClF3NO2 and a molecular weight of 309.71 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103915386
Molecular FormulaC13H15ClF3NO2
Molecular Weight309.71 g/mol
Exact Mass309.07
IUPAC Name3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCc1ccccc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H15ClF3NO2/c14-11-4-2-1-3-10(11)5-6-12(20)18(7-8-19)9-13(15,16)17/h1-4,19H,5-9H2
InChIKeyFUTSUUXQTWUZFJ-UHFFFAOYSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902164
4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 79203920
3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103857303
N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107493544
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120611397
2-(4-aminophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 54904791
4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 103915623
3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 115673311
2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 102848141
3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685
N-(2-hydroxyethyl)-2-imidazo[1,2-a]pyridin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 103857563
N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 103915390

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 103915386) is 3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCc1ccccc1Cl)N(CCO)CC(F)(F)F.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is FUTSUUXQTWUZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO2/c14-11-4-2-1-3-10(11)5-6-12(20)18(7-8-19)9-13(15,16)17/h1-4,19H,5-9H2.
What are the key properties of 3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 309.71 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103915386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).