3-(3-tert-butyl-6-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one

C16H19ClFNO — CID 170079711

IUPAC3-(3-tert-butyl-6-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(c2c(Cl)ccc(C(C)(C)C)c2F)C(=O)N1
InChIInChI=1S/C16H19ClFNO/c1-9-5-6-10(15(20)19-9)13-12(17)8-7-11(14(13)18)16(2,3)4/h7-8,10H,1,5-6H2,2-4H3,(H,19,20)
InChIKeyLRCCQANNYIKKPC-UHFFFAOYSA-N
MW295.78 g/mol
LogP4.28
Rot. Bonds1

About 3-(3-tert-butyl-6-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one

3-(3-tert-butyl-6-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one (PubChem CID 170079711) has the molecular formula C16H19ClFNO and a molecular weight of 295.78 g/mol. Its IUPAC name is 3-(3-tert-butyl-6-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-(3-tert-butyl-6-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one
PubChem CID170079711
Molecular FormulaC16H19ClFNO
Molecular Weight295.78 g/mol
Exact Mass295.11
IUPAC Name3-(3-tert-butyl-6-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(c2c(Cl)ccc(C(C)(C)C)c2F)C(=O)N1
InChIInChI=1S/C16H19ClFNO/c1-9-5-6-10(15(20)19-9)13-12(17)8-7-11(14(13)18)16(2,3)4/h7-8,10H,1,5-6H2,2-4H3,(H,19,20)
InChIKeyLRCCQANNYIKKPC-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.78
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-Chloro-10b-methyl-1,4,6,10b-tetrahydro-2H-benzo[f]quinolin-3-one
CID 10467173
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CID 176438915
N-(5-chlorocyclohexa-1,3-dien-1-yl)-2-(4-chloro-2-fluorophenyl)-3-(4,4-dimethylpentan-2-ylamino)propanamide
CID 139515062
2-(2-chloro-4-fluorophenyl)-N-[[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]methyl]-2-ethylpentanamide
CID 143384380
2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide
CID 147654966
3-(2-Chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one
CID 154004503
N-[1-[3-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-fluorophenyl]-2-methylpropan-2-yl]-2-(2-chlorophenyl)acetamide
CID 169690704
3-(5-Tert-butyl-2,3-difluorophenyl)-6-methylidenepiperidin-2-one
CID 170079697
3-(3-Tert-butyl-2,6-difluorophenyl)-6-methylidenepiperidin-2-one
CID 170079701
3-(4-Tert-butyl-2-chloro-6-fluorophenyl)-6-methylidenepiperidin-2-one
CID 170079710
3-(3-Tert-butyl-2-chloro-6-fluorophenyl)-6-methylidenepiperidin-2-one
CID 170079712
3-(4-Tert-butyl-5-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one
CID 170079713

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-6-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one?
The IUPAC name of 3-(3-tert-butyl-6-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one (CID 170079711) is 3-(3-tert-butyl-6-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-(3-tert-butyl-6-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-(3-tert-butyl-6-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one is C=C1CCC(c2c(Cl)ccc(C(C)(C)C)c2F)C(=O)N1.
What is the InChIKey of 3-(3-tert-butyl-6-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one?
The InChIKey is LRCCQANNYIKKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO/c1-9-5-6-10(15(20)19-9)13-12(17)8-7-11(14(13)18)16(2,3)4/h7-8,10H,1,5-6H2,2-4H3,(H,19,20).
What are the key properties of 3-(3-tert-butyl-6-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one?
3-(3-tert-butyl-6-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one has a molecular weight of 295.78 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-6-chloro-2-fluorophenyl)-6-methylidenepiperidin-2-one is sourced from PubChem (CID 170079711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).