N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide

C14H14F3NO3 — CID 103209924

IUPACN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1ccc(C#CCO)c(NC(=O)COCC(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3/c1-10-4-5-11(3-2-6-19)12(7-10)18-13(20)8-21-9-14(15,16)17/h4-5,7,19H,6,8-9H2,1H3,(H,18,20)
InChIKeyWTCDAUIMKTYNLU-UHFFFAOYSA-N
MW301.26 g/mol
LogP1.86
Rot. Bonds4

About N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209924) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209924
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1ccc(C#CCO)c(NC(=O)COCC(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3/c1-10-4-5-11(3-2-6-19)12(7-10)18-13(20)8-21-9-14(15,16)17/h4-5,7,19H,6,8-9H2,1H3,(H,18,20)
InChIKeyWTCDAUIMKTYNLU-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide
CID 82766739
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103021924
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide
CID 82766423
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylpropanamide
CID 82767041
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide
CID 114875840
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide
CID 82746747
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]propanamide
CID 82746748
1-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-propan-2-ylurea
CID 82766205
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide
CID 82766895
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methyl-2-methylsulfonylpropanamide
CID 82746543
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209891
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209955

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209924) is N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide is Cc1ccc(C#CCO)c(NC(=O)COCC(F)(F)F)c1.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is WTCDAUIMKTYNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c1-10-4-5-11(3-2-6-19)12(7-10)18-13(20)8-21-9-14(15,16)17/h4-5,7,19H,6,8-9H2,1H3,(H,18,20).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 301.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).