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

C13H15ClF3NO3 — CID 103857303

IUPAC3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCOc1cccc(Cl)c1)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H15ClF3NO3/c14-10-2-1-3-11(8-10)21-7-4-12(20)18(5-6-19)9-13(15,16)17/h1-3,8,19H,4-7,9H2
InChIKeyGBPIWOJBZXUECZ-UHFFFAOYSA-N
MW325.71 g/mol
LogP2.49
Rot. Bonds7

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

3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103857303) has the molecular formula C13H15ClF3NO3 and a molecular weight of 325.71 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103857303
Molecular FormulaC13H15ClF3NO3
Molecular Weight325.71 g/mol
Exact Mass325.07
IUPAC Name3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCOc1cccc(Cl)c1)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H15ClF3NO3/c14-10-2-1-3-11(8-10)21-7-4-12(20)18(5-6-19)9-13(15,16)17/h1-3,8,19H,4-7,9H2
InChIKeyGBPIWOJBZXUECZ-UHFFFAOYSA-N
XLogP2.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.71
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 103915390
2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485888
3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 61115959
N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 107492685
2-[[2-(3-chlorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265064
2-[3-(3-chlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 62817951
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
3-(3-chlorophenoxy)propanamide
CID 23512799
CID 131885829
CID 131885829
3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103915386
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902504

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 103857303) is 3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCOc1cccc(Cl)c1)N(CCO)CC(F)(F)F.
What is the InChIKey of 3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is GBPIWOJBZXUECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO3/c14-10-2-1-3-11(8-10)21-7-4-12(20)18(5-6-19)9-13(15,16)17/h1-3,8,19H,4-7,9H2.
What are the key properties of 3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 325.71 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103857303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).