3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide

C19H16F3NO4 — CID 7957155

IUPAC3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12
InChIInChI=1S/C19H16F3NO4/c1-2-25-11-15-14-5-3-4-6-16(14)26-17(15)18(24)23-12-7-9-13(10-8-12)27-19(20,21)22/h3-10H,2,11H2,1H3,(H,23,24)
InChIKeyHYEHPAUHHMPAJH-UHFFFAOYSA-N
MW379.33 g/mol
LogP5.12
Rot. Bonds6

About 3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide

3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 7957155) has the molecular formula C19H16F3NO4 and a molecular weight of 379.33 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
PubChem CID7957155
Molecular FormulaC19H16F3NO4
Molecular Weight379.33 g/mol
Exact Mass379.10
IUPAC Name3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12
InChIInChI=1S/C19H16F3NO4/c1-2-25-11-15-14-5-3-4-6-16(14)26-17(15)18(24)23-12-7-9-13(10-8-12)27-19(20,21)22/h3-10H,2,11H2,1H3,(H,23,24)
InChIKeyHYEHPAUHHMPAJH-UHFFFAOYSA-N
XLogP5.12
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.33
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 55478663
3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide
CID 9076856
3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 16817556
3-[(3-bromobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 16817560
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate
CID 29456795
3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide
CID 9098193
[2-(tert-butylamino)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2660979
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 16575231
[2-(2-acetylhydrazinyl)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7960844
5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 2469337
3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 41106040

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide (CID 7957155) is 3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide is CCOCc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12.
What is the InChIKey of 3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is HYEHPAUHHMPAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO4/c1-2-25-11-15-14-5-3-4-6-16(14)26-17(15)18(24)23-12-7-9-13(10-8-12)27-19(20,21)22/h3-10H,2,11H2,1H3,(H,23,24).
What are the key properties of 3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 379.33 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7957155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).