N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide

C18H15ClF4N2O2 — CID 166782830

IUPACN-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide
SMILESCC1COc2c1cc(C(CNC=O)C(F)(F)F)nc2-c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H15ClF4N2O2/c1-9-7-27-17-11(9)5-15(12(6-24-8-26)18(21,22)23)25-16(17)10-2-3-14(20)13(19)4-10/h2-5,8-9,12H,6-7H2,1H3,(H,24,26)
InChIKeyQMIJTZGBKJOQPA-UHFFFAOYSA-N
MW402.78 g/mol
LogP4.43
Rot. Bonds5

About N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide

N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide (PubChem CID 166782830) has the molecular formula C18H15ClF4N2O2 and a molecular weight of 402.78 g/mol. Its IUPAC name is N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide.

Molecular Properties

Compound NameN-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide
PubChem CID166782830
Molecular FormulaC18H15ClF4N2O2
Molecular Weight402.78 g/mol
Exact Mass402.08
IUPAC NameN-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide
SMILESCC1COc2c1cc(C(CNC=O)C(F)(F)F)nc2-c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H15ClF4N2O2/c1-9-7-27-17-11(9)5-15(12(6-24-8-26)18(21,22)23)25-16(17)10-2-3-14(20)13(19)4-10/h2-5,8-9,12H,6-7H2,1H3,(H,24,26)
InChIKeyQMIJTZGBKJOQPA-UHFFFAOYSA-N
XLogP4.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.78
LogP ≤ 54.43
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-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide?
The IUPAC name of N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide (CID 166782830) is N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide.
What is the SMILES notation for N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide?
The canonical SMILES for N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide is CC1COc2c1cc(C(CNC=O)C(F)(F)F)nc2-c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide?
The InChIKey is QMIJTZGBKJOQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF4N2O2/c1-9-7-27-17-11(9)5-15(12(6-24-8-26)18(21,22)23)25-16(17)10-2-3-14(20)13(19)4-10/h2-5,8-9,12H,6-7H2,1H3,(H,24,26).
What are the key properties of N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide?
N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide has a molecular weight of 402.78 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide is sourced from PubChem (CID 166782830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).