4'-[(3,5-dichloro-2-pyridinyl)oxy]-N-ethyl-6-fluoro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide

C21H20Cl2FN3O3 — CID 170622687

IUPAC4'-[(3,5-dichloro-2-pyridinyl)oxy]-N-ethyl-6-fluoro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide
SMILESCCNC(=O)c1cc2c(cc1F)NC(=O)C21CCC(Oc2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H20Cl2FN3O3/c1-2-25-18(28)13-8-14-17(9-16(13)24)27-20(29)21(14)5-3-12(4-6-21)30-19-15(23)7-11(22)10-26-19/h7-10,12H,2-6H2,1H3,(H,25,28)(H,27,29)
InChIKeyTYFZWLBCUBOGBZ-UHFFFAOYSA-N
MW452.31 g/mol
LogP4.49
Rot. Bonds4

About 4'-[(3,5-dichloro-2-pyridinyl)oxy]-N-ethyl-6-fluoro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide

4'-[(3,5-dichloro-2-pyridinyl)oxy]-N-ethyl-6-fluoro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide (PubChem CID 170622687) has the molecular formula C21H20Cl2FN3O3 and a molecular weight of 452.31 g/mol. Its IUPAC name is 4'-[(3,5-dichloro-2-pyridinyl)oxy]-N-ethyl-6-fluoro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide.

Molecular Properties

Compound Name4'-[(3,5-dichloro-2-pyridinyl)oxy]-N-ethyl-6-fluoro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide
PubChem CID170622687
Molecular FormulaC21H20Cl2FN3O3
Molecular Weight452.31 g/mol
Exact Mass451.09
IUPAC Name4'-[(3,5-dichloro-2-pyridinyl)oxy]-N-ethyl-6-fluoro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide
SMILESCCNC(=O)c1cc2c(cc1F)NC(=O)C21CCC(Oc2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H20Cl2FN3O3/c1-2-25-18(28)13-8-14-17(9-16(13)24)27-20(29)21(14)5-3-12(4-6-21)30-19-15(23)7-11(22)10-26-19/h7-10,12H,2-6H2,1H3,(H,25,28)(H,27,29)
InChIKeyTYFZWLBCUBOGBZ-UHFFFAOYSA-N
XLogP4.49
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4'-[(3,5-dichloro-2-pyridinyl)oxy]-N-ethyl-6-fluoro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
The IUPAC name of 4'-[(3,5-dichloro-2-pyridinyl)oxy]-N-ethyl-6-fluoro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide (CID 170622687) is 4'-[(3,5-dichloro-2-pyridinyl)oxy]-N-ethyl-6-fluoro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide.
What is the SMILES notation for 4'-[(3,5-dichloro-2-pyridinyl)oxy]-N-ethyl-6-fluoro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
The canonical SMILES for 4'-[(3,5-dichloro-2-pyridinyl)oxy]-N-ethyl-6-fluoro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide is CCNC(=O)c1cc2c(cc1F)NC(=O)C21CCC(Oc2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of 4'-[(3,5-dichloro-2-pyridinyl)oxy]-N-ethyl-6-fluoro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
The InChIKey is TYFZWLBCUBOGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2FN3O3/c1-2-25-18(28)13-8-14-17(9-16(13)24)27-20(29)21(14)5-3-12(4-6-21)30-19-15(23)7-11(22)10-26-19/h7-10,12H,2-6H2,1H3,(H,25,28)(H,27,29).
What are the key properties of 4'-[(3,5-dichloro-2-pyridinyl)oxy]-N-ethyl-6-fluoro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
4'-[(3,5-dichloro-2-pyridinyl)oxy]-N-ethyl-6-fluoro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide has a molecular weight of 452.31 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[(3,5-dichloro-2-pyridinyl)oxy]-N-ethyl-6-fluoro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide is sourced from PubChem (CID 170622687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).