4-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

C21H14F4N2O3 — CID 46948613

IUPAC4-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)C1Cc2c(-c3cccc(F)c3)ccnc2O1
InChIInChI=1S/C21H14F4N2O3/c22-13-4-1-3-12(9-13)16-7-8-26-20-17(16)11-18(29-20)19(28)27-14-5-2-6-15(10-14)30-21(23,24)25/h1-10,18H,11H2,(H,27,28)
InChIKeyNFTBRTZBHYACKJ-UHFFFAOYSA-N
MW418.35 g/mol
LogP4.73
Rot. Bonds4

About 4-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

4-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide (PubChem CID 46948613) has the molecular formula C21H14F4N2O3 and a molecular weight of 418.35 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
PubChem CID46948613
Molecular FormulaC21H14F4N2O3
Molecular Weight418.35 g/mol
Exact Mass418.09
IUPAC Name4-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)C1Cc2c(-c3cccc(F)c3)ccnc2O1
InChIInChI=1S/C21H14F4N2O3/c22-13-4-1-3-12(9-13)16-7-8-26-20-17(16)11-18(29-20)19(28)27-14-5-2-6-15(10-14)30-21(23,24)25/h1-10,18H,11H2,(H,27,28)
InChIKeyNFTBRTZBHYACKJ-UHFFFAOYSA-N
XLogP4.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.35
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide (CID 46948613) is 4-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)C1Cc2c(-c3cccc(F)c3)ccnc2O1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The InChIKey is NFTBRTZBHYACKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N2O3/c22-13-4-1-3-12(9-13)16-7-8-26-20-17(16)11-18(29-20)19(28)27-14-5-2-6-15(10-14)30-21(23,24)25/h1-10,18H,11H2,(H,27,28).
What are the key properties of 4-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
4-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide has a molecular weight of 418.35 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46948613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).