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

C17H18ClNO3 — CID 110358376

IUPAC[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone
SMILESCC1(C)COC(c2cccc(Cl)c2)CN1C(=O)c1ccco1
InChIInChI=1S/C17H18ClNO3/c1-17(2)11-22-15(12-5-3-6-13(18)9-12)10-19(17)16(20)14-7-4-8-21-14/h3-9,15H,10-11H2,1-2H3
InChIKeyIMSFVSFSDZEOOJ-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.93
Rot. Bonds2

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

[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone (PubChem CID 110358376) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone
PubChem CID110358376
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone
SMILESCC1(C)COC(c2cccc(Cl)c2)CN1C(=O)c1ccco1
InChIInChI=1S/C17H18ClNO3/c1-17(2)11-22-15(12-5-3-6-13(18)9-12)10-19(17)16(20)14-7-4-8-21-14/h3-9,15H,10-11H2,1-2H3
InChIKeyIMSFVSFSDZEOOJ-UHFFFAOYSA-N
XLogP3.93
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone
CID 110358386
1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110358398
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
(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
CID 110327302
(5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 115269514
(3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327516
[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
CID 110327513
[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone
CID 42782415
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364303
[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364402
[2-(3-chlorophenyl)morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 122138903

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone?
The IUPAC name of [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone (CID 110358376) is [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone is CC1(C)COC(c2cccc(Cl)c2)CN1C(=O)c1ccco1.
What is the InChIKey of [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone?
The InChIKey is IMSFVSFSDZEOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-17(2)11-22-15(12-5-3-6-13(18)9-12)10-19(17)16(20)14-7-4-8-21-14/h3-9,15H,10-11H2,1-2H3.
What are the key properties of [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone?
[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone has a molecular weight of 319.79 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 110358376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).