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

C25H24ClNO4 — CID 22511239

IUPACN-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Cl)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3
InChIInChI=1S/C25H24ClNO4/c1-14-9-11-25(12-10-14)13-18(28)22-20(31-25)8-7-19-21(22)15(2)23(30-19)24(29)27-17-6-4-3-5-16(17)26/h3-8,14H,9-13H2,1-2H3,(H,27,29)
InChIKeyRCGWIEXNCWUBQK-UHFFFAOYSA-N
MW437.92 g/mol
LogP6.56
Rot. Bonds2

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

N-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide (PubChem CID 22511239) has the molecular formula C25H24ClNO4 and a molecular weight of 437.92 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
PubChem CID22511239
Molecular FormulaC25H24ClNO4
Molecular Weight437.92 g/mol
Exact Mass437.14
IUPAC NameN-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Cl)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3
InChIInChI=1S/C25H24ClNO4/c1-14-9-11-25(12-10-14)13-18(28)22-20(31-25)8-7-19-21(22)15(2)23(30-19)24(29)27-17-6-4-3-5-16(17)26/h3-8,14H,9-13H2,1-2H3,(H,27,29)
InChIKeyRCGWIEXNCWUBQK-UHFFFAOYSA-N
XLogP6.56
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.92
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511241
1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511190
(7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 92669162
methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate
CID 22511287
N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511179
N-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide
CID 22511390
N-[(2S)-butan-2-yl]-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 92703664
N-cyclopentyl-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 20886050
1-methyl-N-[2-(4-methylphenyl)ethyl]-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511200
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide
CID 22511366
1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one
CID 22511267
N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 22553080

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide (CID 22511239) is N-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide is Cc1c(C(=O)Nc2ccccc2Cl)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3.
What is the InChIKey of N-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The InChIKey is RCGWIEXNCWUBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO4/c1-14-9-11-25(12-10-14)13-18(28)22-20(31-25)8-7-19-21(22)15(2)23(30-19)24(29)27-17-6-4-3-5-16(17)26/h3-8,14H,9-13H2,1-2H3,(H,27,29).
What are the key properties of N-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
N-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide has a molecular weight of 437.92 g/mol, XLogP of 6.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 22511239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).