N-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide

C19H16ClF5N2O2 — CID 166783285

IUPACN-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide
SMILESO=CNCC(c1cc2c(c(-c3ccc(Cl)cc3)n1)OCC2(CF)CF)C(F)(F)F
InChIInChI=1S/C19H16ClF5N2O2/c20-12-3-1-11(2-4-12)16-17-13(18(7-21,8-22)9-29-17)5-15(27-16)14(6-26-10-28)19(23,24)25/h1-5,10,14H,6-9H2,(H,26,28)
InChIKeyDOAPKAQPFKMYOY-UHFFFAOYSA-N
MW434.79 g/mol
LogP4.36
Rot. Bonds7

About N-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide

N-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide (PubChem CID 166783285) has the molecular formula C19H16ClF5N2O2 and a molecular weight of 434.79 g/mol. Its IUPAC name is N-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide.

Molecular Properties

Compound NameN-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide
PubChem CID166783285
Molecular FormulaC19H16ClF5N2O2
Molecular Weight434.79 g/mol
Exact Mass434.08
IUPAC NameN-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide
SMILESO=CNCC(c1cc2c(c(-c3ccc(Cl)cc3)n1)OCC2(CF)CF)C(F)(F)F
InChIInChI=1S/C19H16ClF5N2O2/c20-12-3-1-11(2-4-12)16-17-13(18(7-21,8-22)9-29-17)5-15(27-16)14(6-26-10-28)19(23,24)25/h1-5,10,14H,6-9H2,(H,26,28)
InChIKeyDOAPKAQPFKMYOY-UHFFFAOYSA-N
XLogP4.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.79
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide?
The IUPAC name of N-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide (CID 166783285) is N-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide.
What is the SMILES notation for N-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide?
The canonical SMILES for N-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide is O=CNCC(c1cc2c(c(-c3ccc(Cl)cc3)n1)OCC2(CF)CF)C(F)(F)F.
What is the InChIKey of N-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide?
The InChIKey is DOAPKAQPFKMYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF5N2O2/c20-12-3-1-11(2-4-12)16-17-13(18(7-21,8-22)9-29-17)5-15(27-16)14(6-26-10-28)19(23,24)25/h1-5,10,14H,6-9H2,(H,26,28).
What are the key properties of N-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide?
N-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide has a molecular weight of 434.79 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide is sourced from PubChem (CID 166783285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).