N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide

C12H14F3NO3 — CID 103208640

IUPACN-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1c(O)cccc1NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-8-9(3-2-4-10(8)17)16-11(18)5-6-19-7-12(13,14)15/h2-4,17H,5-7H2,1H3,(H,16,18)
InChIKeyAVRGGDSSOXTWCR-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.61
Rot. Bonds5

About N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103208640) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103208640
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC NameN-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1c(O)cccc1NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-8-9(3-2-4-10(8)17)16-11(18)5-6-19-7-12(13,14)15/h2-4,17H,5-7H2,1H3,(H,16,18)
InChIKeyAVRGGDSSOXTWCR-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.61
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-bromo-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 113230236
N-[2-(methylaminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103805508
N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113368783
N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915349
N-(2-amino-4,5-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205646
N-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 49202160
N-(3-hydroxy-2-methylphenyl)pentanamide
CID 64792889
N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205571
N-(2-hydroxy-5-nitrophenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 97065932
3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 103211671
N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209213
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103208640) is N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide is Cc1c(O)cccc1NC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is AVRGGDSSOXTWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-8-9(3-2-4-10(8)17)16-11(18)5-6-19-7-12(13,14)15/h2-4,17H,5-7H2,1H3,(H,16,18).
What are the key properties of N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 277.24 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103208640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).