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

C20H17ClFNO3 — CID 7260549

IUPAC1'-(2-chloro-6-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3c(F)cccc3Cl)CC2)Oc2ccccc21
InChIInChI=1S/C20H17ClFNO3/c21-14-5-3-6-15(22)18(14)19(25)23-10-8-20(9-11-23)12-16(24)13-4-1-2-7-17(13)26-20/h1-7H,8-12H2
InChIKeyWANUIMYTRZIOAI-UHFFFAOYSA-N
MW373.81 g/mol
LogP4.12
Rot. Bonds1

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

1'-(2-chloro-6-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260549) has the molecular formula C20H17ClFNO3 and a molecular weight of 373.81 g/mol. Its IUPAC name is 1'-(2-chloro-6-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2-chloro-6-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260549
Molecular FormulaC20H17ClFNO3
Molecular Weight373.81 g/mol
Exact Mass373.09
IUPAC Name1'-(2-chloro-6-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3c(F)cccc3Cl)CC2)Oc2ccccc21
InChIInChI=1S/C20H17ClFNO3/c21-14-5-3-6-15(22)18(14)19(25)23-10-8-20(9-11-23)12-16(24)13-4-1-2-7-17(13)26-20/h1-7H,8-12H2
InChIKeyWANUIMYTRZIOAI-UHFFFAOYSA-N
XLogP4.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.81
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-Benzylspiro[chroman-2,4'-piperidin]-4-one
CID 2427316
Spiro[chroman-2,4'-piperidin]-1'-yl(4-(trifluoromethyl)phenyl)methanone
CID 44583353
Spiro-chromanone scaffold, 1
CID 44143287
1'-(3-Fluorobenzoyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260532
1'-(3,4-Difluorobenzoyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260543
1'-(2-Fluorobenzoyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260531
1'-(4-Fluorobenzoyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260533
1'-(3-Chlorobenzoyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260535
1'-[2-(4-chlorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260594
2-(2-chlorobenzyloxy)-N,N-dimethyl-5-(3-(piperidin-1-yl)propoxy)benzamide
CID 44425557
3-Chloro-5-[(4-methylpiperazin-1-yl)methyl]xanthen-9-one;trihydrochloride
CID 90664359
N-[(2-chlorophenyl)methyl]-2-phenoxybenzamide
CID 971337

Frequently Asked Questions

What is the IUPAC name of 1'-(2-chloro-6-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2-chloro-6-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260549) is 1'-(2-chloro-6-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2-chloro-6-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2-chloro-6-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3c(F)cccc3Cl)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(2-chloro-6-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is WANUIMYTRZIOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO3/c21-14-5-3-6-15(22)18(14)19(25)23-10-8-20(9-11-23)12-16(24)13-4-1-2-7-17(13)26-20/h1-7H,8-12H2.
What are the key properties of 1'-(2-chloro-6-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2-chloro-6-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 373.81 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-chloro-6-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).