6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

C22H21ClFNO3 — CID 108758533

IUPAC6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(c(C)c1Cl)C(=O)CC1(CCN(C(=O)c3ccccc3F)CC1)O2
InChIInChI=1S/C22H21ClFNO3/c1-13-11-18-19(14(2)20(13)23)17(26)12-22(28-18)7-9-25(10-8-22)21(27)15-5-3-4-6-16(15)24/h3-6,11H,7-10,12H2,1-2H3
InChIKeyWOHVANFDGLHTPX-UHFFFAOYSA-N
MW401.87 g/mol
LogP4.74
Rot. Bonds1

About 6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108758533) has the molecular formula C22H21ClFNO3 and a molecular weight of 401.87 g/mol. Its IUPAC name is 6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108758533
Molecular FormulaC22H21ClFNO3
Molecular Weight401.87 g/mol
Exact Mass401.12
IUPAC Name6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(c(C)c1Cl)C(=O)CC1(CCN(C(=O)c3ccccc3F)CC1)O2
InChIInChI=1S/C22H21ClFNO3/c1-13-11-18-19(14(2)20(13)23)17(26)12-22(28-18)7-9-25(10-8-22)21(27)15-5-3-4-6-16(15)24/h3-6,11H,7-10,12H2,1-2H3
InChIKeyWOHVANFDGLHTPX-UHFFFAOYSA-N
XLogP4.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5,7-dimethyl-1'-(2-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735393
6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758540
1'-butanoyl-6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735412
1-(6-chloro-5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-fluorophenyl)butane-1,4-dione
CID 108735417
5,7-dimethyl-1'-[2-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762474
6-chloro-1'-[2-(4-methoxyphenyl)acetyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735394
6-chloro-N-cyclohexyl-5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108781940
6-chloro-5,7-dimethyl-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758603
6-chloro-5,7-dimethyl-1'-(3-nitro-4-pyrrolidin-1-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735366
6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 16643155
6-chloro-5,7-dimethyl-1'-[2-(2,3,5-trimethylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735425
6-chloro-7-methyl-1'-(2-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735233

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108758533) is 6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc2c(c(C)c1Cl)C(=O)CC1(CCN(C(=O)c3ccccc3F)CC1)O2.
What is the InChIKey of 6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is WOHVANFDGLHTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFNO3/c1-13-11-18-19(14(2)20(13)23)17(26)12-22(28-18)7-9-25(10-8-22)21(27)15-5-3-4-6-16(15)24/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 401.87 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108758533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).