4,6-difluoro-N-spiro[5.5]undecan-3-yl-1H-indole-2-carboxamide

C20H24F2N2O — CID 122650227

IUPAC4,6-difluoro-N-spiro[5.5]undecan-3-yl-1H-indole-2-carboxamide
SMILESO=C(NC1CCC2(CCCCC2)CC1)c1cc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C20H24F2N2O/c21-13-10-16(22)15-12-18(24-17(15)11-13)19(25)23-14-4-8-20(9-5-14)6-2-1-3-7-20/h10-12,14,24H,1-9H2,(H,23,25)
InChIKeyFQMYGGFYZZTJBK-UHFFFAOYSA-N
MW346.42 g/mol
LogP5.07
Rot. Bonds2

About 4,6-difluoro-N-spiro[5.5]undecan-3-yl-1H-indole-2-carboxamide

4,6-difluoro-N-spiro[5.5]undecan-3-yl-1H-indole-2-carboxamide (PubChem CID 122650227) has the molecular formula C20H24F2N2O and a molecular weight of 346.42 g/mol. Its IUPAC name is 4,6-difluoro-N-spiro[5.5]undecan-3-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-difluoro-N-spiro[5.5]undecan-3-yl-1H-indole-2-carboxamide
PubChem CID122650227
Molecular FormulaC20H24F2N2O
Molecular Weight346.42 g/mol
Exact Mass346.19
IUPAC Name4,6-difluoro-N-spiro[5.5]undecan-3-yl-1H-indole-2-carboxamide
SMILESO=C(NC1CCC2(CCCCC2)CC1)c1cc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C20H24F2N2O/c21-13-10-16(22)15-12-18(24-17(15)11-13)19(25)23-14-4-8-20(9-5-14)6-2-1-3-7-20/h10-12,14,24H,1-9H2,(H,23,25)
InChIKeyFQMYGGFYZZTJBK-UHFFFAOYSA-N
XLogP5.07
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.42
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-spiro[5.5]undecan-3-yl-1H-indole-2-carboxamide?
The IUPAC name of 4,6-difluoro-N-spiro[5.5]undecan-3-yl-1H-indole-2-carboxamide (CID 122650227) is 4,6-difluoro-N-spiro[5.5]undecan-3-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-difluoro-N-spiro[5.5]undecan-3-yl-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-difluoro-N-spiro[5.5]undecan-3-yl-1H-indole-2-carboxamide is O=C(NC1CCC2(CCCCC2)CC1)c1cc2c(F)cc(F)cc2[nH]1.
What is the InChIKey of 4,6-difluoro-N-spiro[5.5]undecan-3-yl-1H-indole-2-carboxamide?
The InChIKey is FQMYGGFYZZTJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O/c21-13-10-16(22)15-12-18(24-17(15)11-13)19(25)23-14-4-8-20(9-5-14)6-2-1-3-7-20/h10-12,14,24H,1-9H2,(H,23,25).
What are the key properties of 4,6-difluoro-N-spiro[5.5]undecan-3-yl-1H-indole-2-carboxamide?
4,6-difluoro-N-spiro[5.5]undecan-3-yl-1H-indole-2-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 5.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-spiro[5.5]undecan-3-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 122650227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).