1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone

C20H20ClNO4 — CID 110358398

IUPAC1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)COC(c2cccc(Cl)c2)CN1C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H20ClNO4/c1-20(2)11-24-18(13-4-3-5-15(21)8-13)10-22(20)19(23)14-6-7-16-17(9-14)26-12-25-16/h3-9,18H,10-12H2,1-2H3
InChIKeyATZBPWFATROLIL-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.06
Rot. Bonds2

About 1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone

1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone (PubChem CID 110358398) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
PubChem CID110358398
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)COC(c2cccc(Cl)c2)CN1C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H20ClNO4/c1-20(2)11-24-18(13-4-3-5-15(21)8-13)10-22(20)19(23)14-6-7-16-17(9-14)26-12-25-16/h3-9,18H,10-12H2,1-2H3
InChIKeyATZBPWFATROLIL-UHFFFAOYSA-N
XLogP4.06
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone
CID 110358386
[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone
CID 110358376
2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide
CID 110356676
6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione
CID 154789318
(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
CID 110327316
(3,4-dimethoxyphenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327523
[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 90512722
1,3-benzodioxol-5-yl-[3-[4-(3-chlorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methanone
CID 75098882
[2-(3-chlorophenyl)morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 122138903
1,3-benzodioxol-5-yl-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 8642805
[2-(3-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone;hydrochloride
CID 120803568
(3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82246999

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone (CID 110358398) is 1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone is CC1(C)COC(c2cccc(Cl)c2)CN1C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone?
The InChIKey is ATZBPWFATROLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-20(2)11-24-18(13-4-3-5-15(21)8-13)10-22(20)19(23)14-6-7-16-17(9-14)26-12-25-16/h3-9,18H,10-12H2,1-2H3.
What are the key properties of 1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone?
1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone has a molecular weight of 373.84 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 110358398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).