N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide

C13H16F3NO3 — CID 103209213

IUPACN-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(O)c1cccc(NC(=O)CCOCC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-9(18)10-3-2-4-11(7-10)17-12(19)5-6-20-8-13(14,15)16/h2-4,7,9,18H,5-6,8H2,1H3,(H,17,19)
InChIKeyRSJRZARXZYQJEQ-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.65
Rot. Bonds6

About N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103209213) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103209213
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC NameN-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(O)c1cccc(NC(=O)CCOCC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-9(18)10-3-2-4-11(7-10)17-12(19)5-6-20-8-13(14,15)16/h2-4,7,9,18H,5-6,8H2,1H3,(H,17,19)
InChIKeyRSJRZARXZYQJEQ-UHFFFAOYSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide
CID 55104060
2-[3-[3-(2,2,2-trifluoroethoxy)propanoylamino]phenyl]acetic acid
CID 65346637
N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112603236
N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 16792149
N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005070
N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208640
4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid
CID 63650013
4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide
CID 40793146
N-[4-(bromomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212488
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
CID 93090529
4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120560452
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005218

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 103209213) is N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide is CC(O)c1cccc(NC(=O)CCOCC(F)(F)F)c1.
What is the InChIKey of N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is RSJRZARXZYQJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-9(18)10-3-2-4-11(7-10)17-12(19)5-6-20-8-13(14,15)16/h2-4,7,9,18H,5-6,8H2,1H3,(H,17,19).
What are the key properties of N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 291.27 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103209213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).