N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide

C24H21F2NO4 — CID 22511179

IUPACN-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2F)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3
InChIInChI=1S/C24H21F2NO4/c1-13-20-18(30-22(13)23(29)27-16-6-5-14(25)11-15(16)26)7-8-19-21(20)17(28)12-24(31-19)9-3-2-4-10-24/h5-8,11H,2-4,9-10,12H2,1H3,(H,27,29)
InChIKeyISBBZTXITVFEJW-UHFFFAOYSA-N
MW425.43 g/mol
LogP5.94
Rot. Bonds2

About N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide

N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide (PubChem CID 22511179) has the molecular formula C24H21F2NO4 and a molecular weight of 425.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
PubChem CID22511179
Molecular FormulaC24H21F2NO4
Molecular Weight425.43 g/mol
Exact Mass425.14
IUPAC NameN-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2F)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3
InChIInChI=1S/C24H21F2NO4/c1-13-20-18(30-22(13)23(29)27-16-6-5-14(25)11-15(16)26)7-8-19-21(20)17(28)12-24(31-19)9-3-2-4-10-24/h5-8,11H,2-4,9-10,12H2,1H3,(H,27,29)
InChIKeyISBBZTXITVFEJW-UHFFFAOYSA-N
XLogP5.94
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.43
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide (CID 22511179) is N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2F)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3.
What is the InChIKey of N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The InChIKey is ISBBZTXITVFEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO4/c1-13-20-18(30-22(13)23(29)27-16-6-5-14(25)11-15(16)26)7-8-19-21(20)17(28)12-24(31-19)9-3-2-4-10-24/h5-8,11H,2-4,9-10,12H2,1H3,(H,27,29).
What are the key properties of N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide has a molecular weight of 425.43 g/mol, XLogP of 5.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 22511179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).