N-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide

C13H14F3NO2 — CID 170489234

IUPACN-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C13H14F3NO2/c1-9(18)17-7-3-2-4-10-5-6-11(8-12(10)19)13(14,15)16/h2,4-6,8,19H,3,7H2,1H3,(H,17,18)
InChIKeyFSSAWEIHCHDMEE-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.95
Rot. Bonds4

About N-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide

N-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide (PubChem CID 170489234) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
PubChem CID170489234
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC NameN-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C13H14F3NO2/c1-9(18)17-7-3-2-4-10-5-6-11(8-12(10)19)13(14,15)16/h2,4-6,8,19H,3,7H2,1H3,(H,17,18)
InChIKeyFSSAWEIHCHDMEE-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidobut-1-enyl)-5-(trifluoromethyl)benzoic acid
CID 170489593
N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465937
N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465950
N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide
CID 170488274
5-(4-acetamidobut-1-enyl)-2,4-dihydroxybenzoic acid
CID 170489183
N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl]acetamide
CID 170489174
2-(3-acetamidoprop-1-enyl)-5-(trifluoromethyl)benzoic acid
CID 169466370
N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
CID 170489158
N-[4-[4-amino-5-fluoro-2-(trifluoromethyl)phenyl]but-3-enyl]acetamide
CID 170489560
N-[3-[2-amino-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466076
tert-butyl N-[4-[2-nitro-4-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170491397
tert-butyl N-[4-[2-hydroxy-4-(trifluoromethoxy)phenyl]but-3-enyl]carbamate
CID 170491286

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide?
The IUPAC name of N-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide (CID 170489234) is N-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide.
What is the SMILES notation for N-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide?
The canonical SMILES for N-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide is CC(=O)NCCC=Cc1ccc(C(F)(F)F)cc1O.
What is the InChIKey of N-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide?
The InChIKey is FSSAWEIHCHDMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-9(18)17-7-3-2-4-10-5-6-11(8-12(10)19)13(14,15)16/h2,4-6,8,19H,3,7H2,1H3,(H,17,18).
What are the key properties of N-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide?
N-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide has a molecular weight of 273.25 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide is sourced from PubChem (CID 170489234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).