3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide

C12H14F3NO3 — CID 91069270

IUPAC3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide
SMILESCCOC(OC)c1cc(C(N)=O)ccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-3-19-11(18-2)8-6-7(10(16)17)4-5-9(8)12(13,14)15/h4-6,11H,3H2,1-2H3,(H2,16,17)
InChIKeyBJEJCJGXKWNMDW-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.49
Rot. Bonds5

About 3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide

3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 91069270) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide
PubChem CID91069270
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide
SMILESCCOC(OC)c1cc(C(N)=O)ccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-3-19-11(18-2)8-6-7(10(16)17)4-5-9(8)12(13,14)15/h4-6,11H,3H2,1-2H3,(H2,16,17)
InChIKeyBJEJCJGXKWNMDW-UHFFFAOYSA-N
XLogP2.49
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(trifluoromethyl)benzamide
CID 70566293
3,4-bis(trifluoromethyl)benzamide;hydrochloride
CID 174566583
3-amino-4-[(2S,3S)-1,4-diamino-4-(2-amino-4-carbamoylphenyl)-2,3-diethoxybutyl]benzamide
CID 138523911
2-[4-carbamoyl-2-(trifluoromethyl)phenoxy]butanoic acid
CID 115467582
1-[5-carbamoyl-2-(trifluoromethyl)phenyl]propane-2-sulfonic acid
CID 175256616
ethyl (3R)-3-amino-2-fluoro-3-[5-fluoro-2-(trifluoromethyl)phenyl]propanoate
CID 171242699
4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide
CID 170999511
ethyl (3R)-3-amino-2-fluoro-3-[5-fluoro-2-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171242700
ethyl 3-fluoro-4-(trifluoromethyl)benzoate
CID 46311389
4-bromo-3-[chloro(methoxy)methyl]benzamide
CID 91430417
2-bromo-1-[3-ethoxy-4-(trifluoromethyl)phenyl]propan-1-one
CID 134618862
ethyl (3S)-3-amino-3-[2,5-bis(trifluoromethyl)phenyl]propanoate
CID 171228454

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide (CID 91069270) is 3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide is CCOC(OC)c1cc(C(N)=O)ccc1C(F)(F)F.
What is the InChIKey of 3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is BJEJCJGXKWNMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-3-19-11(18-2)8-6-7(10(16)17)4-5-9(8)12(13,14)15/h4-6,11H,3H2,1-2H3,(H2,16,17).
What are the key properties of 3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide?
3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 277.24 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 91069270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).