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

C26H26FNO4 — CID 22511390

IUPACN-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCCC1)O3
InChIInChI=1S/C26H26FNO4/c1-15-13-17(27)7-8-18(15)28-25(30)24-16(2)22-20(31-24)9-10-21-23(22)19(29)14-26(32-21)11-5-3-4-6-12-26/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,28,30)
InChIKeyHETRJMWNNCMDPT-UHFFFAOYSA-N
MW435.50 g/mol
LogP6.50
Rot. Bonds2

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

N-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide (PubChem CID 22511390) has the molecular formula C26H26FNO4 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide
PubChem CID22511390
Molecular FormulaC26H26FNO4
Molecular Weight435.50 g/mol
Exact Mass435.18
IUPAC NameN-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCCC1)O3
InChIInChI=1S/C26H26FNO4/c1-15-13-17(27)7-8-18(15)28-25(30)24-16(2)22-20(31-24)9-10-21-23(22)19(29)14-26(32-21)11-5-3-4-6-12-26/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,28,30)
InChIKeyHETRJMWNNCMDPT-UHFFFAOYSA-N
XLogP6.50
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.50
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511179
1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511190
methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate
CID 22511287
N-[(2S)-butan-2-yl]-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 92703664
1-methyl-N-[2-(4-methylphenyl)ethyl]-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511200
N-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511239
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide
CID 22511366
(7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 92669162
N-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 23601750
N-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511241
(7R)-7-(4-fluorophenyl)-1,7-dimethyl-N-(4-methylphenyl)-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 92669200
1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one
CID 22511267

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide (CID 22511390) is N-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide is Cc1cc(F)ccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCCC1)O3.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide?
The InChIKey is HETRJMWNNCMDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO4/c1-15-13-17(27)7-8-18(15)28-25(30)24-16(2)22-20(31-24)9-10-21-23(22)19(29)14-26(32-21)11-5-3-4-6-12-26/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,28,30).
What are the key properties of N-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide?
N-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 6.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide is sourced from PubChem (CID 22511390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).