2-ethoxy-5-(trifluoromethoxy)benzamide

C10H10F3NO3 — CID 170997994

IUPAC2-ethoxy-5-(trifluoromethoxy)benzamide
SMILESCCOc1ccc(OC(F)(F)F)cc1C(N)=O
InChIInChI=1S/C10H10F3NO3/c1-2-16-8-4-3-6(17-10(11,12)13)5-7(8)9(14)15/h3-5H,2H2,1H3,(H2,14,15)
InChIKeyBMONGOCVDVOLJC-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.08
Rot. Bonds4

About 2-ethoxy-5-(trifluoromethoxy)benzamide

2-ethoxy-5-(trifluoromethoxy)benzamide (PubChem CID 170997994) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-ethoxy-5-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-ethoxy-5-(trifluoromethoxy)benzamide
PubChem CID170997994
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name2-ethoxy-5-(trifluoromethoxy)benzamide
SMILESCCOc1ccc(OC(F)(F)F)cc1C(N)=O
InChIInChI=1S/C10H10F3NO3/c1-2-16-8-4-3-6(17-10(11,12)13)5-7(8)9(14)15/h3-5H,2H2,1H3,(H2,14,15)
InChIKeyBMONGOCVDVOLJC-UHFFFAOYSA-N
XLogP2.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-5-(trifluoromethoxy)benzoate
CID 170682099
3-bromo-1-[2-ethoxy-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134624533
ethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998059
2-ethyl-4-(trifluoromethoxy)benzamide
CID 141054178
methyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998049
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-one
CID 118807482
1-bromo-1-[2-ethoxy-5-(trifluoromethoxy)phenyl]propan-2-one
CID 134615762
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184
2,4-diethoxybenzamide
CID 17145726
(E)-3-[2-ethoxy-5-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 170997964
(E)-1-[2,5-bis(trifluoromethoxy)phenyl]-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 87841560

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(trifluoromethoxy)benzamide?
The IUPAC name of 2-ethoxy-5-(trifluoromethoxy)benzamide (CID 170997994) is 2-ethoxy-5-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-ethoxy-5-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-ethoxy-5-(trifluoromethoxy)benzamide is CCOc1ccc(OC(F)(F)F)cc1C(N)=O.
What is the InChIKey of 2-ethoxy-5-(trifluoromethoxy)benzamide?
The InChIKey is BMONGOCVDVOLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-2-16-8-4-3-6(17-10(11,12)13)5-7(8)9(14)15/h3-5H,2H2,1H3,(H2,14,15).
What are the key properties of 2-ethoxy-5-(trifluoromethoxy)benzamide?
2-ethoxy-5-(trifluoromethoxy)benzamide has a molecular weight of 249.19 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(trifluoromethoxy)benzamide is sourced from PubChem (CID 170997994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).