2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide

C14H16F3NO3 — CID 67303889

IUPAC2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide
SMILESCC(C)(C)C(=O)COc1ccc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C14H16F3NO3/c1-13(2,3)11(19)7-21-10-5-4-8(14(15,16)17)6-9(10)12(18)20/h4-6H,7H2,1-3H3,(H2,18,20)
InChIKeyBUQAMUKJJIHQSB-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.80
Rot. Bonds4

About 2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide

2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide (PubChem CID 67303889) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide
PubChem CID67303889
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide
SMILESCC(C)(C)C(=O)COc1ccc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C14H16F3NO3/c1-13(2,3)11(19)7-21-10-5-4-8(14(15,16)17)6-9(10)12(18)20/h4-6H,7H2,1-3H3,(H2,18,20)
InChIKeyBUQAMUKJJIHQSB-UHFFFAOYSA-N
XLogP2.80
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylsulfonylcyclopropyl)methoxy]-5-(trifluoromethyl)benzamide
CID 167907655
2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide
CID 67303390
5-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)benzenecarbothioamide
CID 82956237
5-amino-2-(2,2,2-trifluoroethoxy)benzamide
CID 61312859
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
2-(3,3-dimethylbutoxy)-5-(trifluoromethyl)benzoic acid
CID 66225523
2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 67303342
2-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-5-(trifluoromethyl)benzamide
CID 167854652
2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 68717489
2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide
CID 62808321
1-[2,5-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-one
CID 146009239

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide (CID 67303889) is 2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide is CC(C)(C)C(=O)COc1ccc(C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide?
The InChIKey is BUQAMUKJJIHQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-13(2,3)11(19)7-21-10-5-4-8(14(15,16)17)6-9(10)12(18)20/h4-6H,7H2,1-3H3,(H2,18,20).
What are the key properties of 2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide?
2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide has a molecular weight of 303.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 67303889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).