2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C14H16F3NO2 — CID 110423473

IUPAC2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1CCCCO1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)10-4-6-11(7-5-10)18-13(19)9-12-3-1-2-8-20-12/h4-7,12H,1-3,8-9H2,(H,18,19)
InChIKeyPZRVWDQZMXDRJR-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.60
Rot. Bonds3

About 2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 110423473) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID110423473
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1CCCCO1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)10-4-6-11(7-5-10)18-13(19)9-12-3-1-2-8-20-12/h4-7,12H,1-3,8-9H2,(H,18,19)
InChIKeyPZRVWDQZMXDRJR-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[4-[[2-(oxan-2-yl)acetyl]amino]phenyl]propanoic acid
CID 120688056
N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide
CID 106910580
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 96569116
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
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2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
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3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 120687029
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid
CID 107792703
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648
2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 84575366
N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
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CID 110614780

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 110423473) is 2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CC1CCCCO1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PZRVWDQZMXDRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)10-4-6-11(7-5-10)18-13(19)9-12-3-1-2-8-20-12/h4-7,12H,1-3,8-9H2,(H,18,19).
What are the key properties of 2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 287.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 110423473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).