4-acetyl-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C13H14F3NO3 — CID 86783275

IUPAC4-acetyl-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCC(=O)c1ccc(C(=O)N(C)CC(O)C(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO3/c1-8(18)9-3-5-10(6-4-9)12(20)17(2)7-11(19)13(14,15)16/h3-6,11,19H,7H2,1-2H3
InChIKeyUTHUXEFBWRTBJY-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.88
Rot. Bonds4

About 4-acetyl-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

4-acetyl-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 86783275) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is 4-acetyl-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-acetyl-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID86783275
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name4-acetyl-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCC(=O)c1ccc(C(=O)N(C)CC(O)C(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO3/c1-8(18)9-3-5-10(6-4-9)12(20)17(2)7-11(19)13(14,15)16/h3-6,11,19H,7H2,1-2H3
InChIKeyUTHUXEFBWRTBJY-UHFFFAOYSA-N
XLogP1.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 4-acetyl-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 86783275) is 4-acetyl-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 4-acetyl-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 4-acetyl-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is CC(=O)c1ccc(C(=O)N(C)CC(O)C(F)(F)F)cc1.
What is the InChIKey of 4-acetyl-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is UTHUXEFBWRTBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-8(18)9-3-5-10(6-4-9)12(20)17(2)7-11(19)13(14,15)16/h3-6,11,19H,7H2,1-2H3.
What are the key properties of 4-acetyl-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
4-acetyl-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 289.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 86783275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).