6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide

C23H21F3N2O3 — CID 118398828

IUPAC6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1c2ccn1CC(F)F
InChIInChI=1S/C23H21F3N2O3/c1-12(2)30-17-10-16-19(23(29)27-3)21(13-4-6-14(24)7-5-13)31-22(16)15-8-9-28(20(15)17)11-18(25)26/h4-10,12,18H,11H2,1-3H3,(H,27,29)
InChIKeyDYRAURWMNITBOW-UHFFFAOYSA-N
MW430.43 g/mol
LogP5.61
Rot. Bonds6

About 6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide

6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide (PubChem CID 118398828) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is 6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide.

Molecular Properties

Compound Name6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
PubChem CID118398828
Molecular FormulaC23H21F3N2O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC Name6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1c2ccn1CC(F)F
InChIInChI=1S/C23H21F3N2O3/c1-12(2)30-17-10-16-19(23(29)27-3)21(13-4-6-14(24)7-5-13)31-22(16)15-8-9-28(20(15)17)11-18(25)26/h4-10,12,18H,11H2,1-3H3,(H,27,29)
InChIKeyDYRAURWMNITBOW-UHFFFAOYSA-N
XLogP5.61
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The IUPAC name of 6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide (CID 118398828) is 6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide.
What is the SMILES notation for 6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The canonical SMILES for 6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1c2ccn1CC(F)F.
What is the InChIKey of 6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The InChIKey is DYRAURWMNITBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c1-12(2)30-17-10-16-19(23(29)27-3)21(13-4-6-14(24)7-5-13)31-22(16)15-8-9-28(20(15)17)11-18(25)26/h4-10,12,18H,11H2,1-3H3,(H,27,29).
What are the key properties of 6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 118398828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).