2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C15H14F3NO2 — CID 103723083

IUPAC2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCC(O)C(F)(F)F
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)13(20)9-19-14(21)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13,20H,8-9H2,(H,19,21)
InChIKeyKTJDXJSGSMDVDB-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.42
Rot. Bonds4

About 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103723083) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103723083
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCC(O)C(F)(F)F
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)13(20)9-19-14(21)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13,20H,8-9H2,(H,19,21)
InChIKeyKTJDXJSGSMDVDB-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
N-(2,3-dihydroxypropyl)-2-naphthalen-2-ylacetamide
CID 66175171
1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide
CID 103726312
N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide
CID 68703244
N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide
CID 114315688
N-(2-hydroxy-2-phenylpropyl)-2-naphthalen-2-ylacetamide
CID 111335174
N-(2-bromoethyl)-2-naphthalen-2-ylacetamide
CID 43133408
N-(2-amino-2-oxoethyl)-2-naphthalen-2-ylacetamide
CID 9296472
N-[(2-fluorophenyl)methyl]-2-naphthalen-2-ylacetamide
CID 8870478
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615
N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide
CID 114317561
2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103723083) is 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(Cc1ccc2ccccc2c1)NCC(O)C(F)(F)F.
What is the InChIKey of 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is KTJDXJSGSMDVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-15(17,18)13(20)9-19-14(21)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13,20H,8-9H2,(H,19,21).
What are the key properties of 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 297.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103723083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).