(3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone

C13H15Cl2NO2 — CID 110292311

IUPAC(3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone
SMILESCC1COCC(C)N1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO2/c1-8-6-18-7-9(2)16(8)13(17)10-3-4-11(14)12(15)5-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyFNAYYXXIELXTHG-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.24
Rot. Bonds1

About (3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone

(3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone (PubChem CID 110292311) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone
PubChem CID110292311
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name(3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone
SMILESCC1COCC(C)N1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO2/c1-8-6-18-7-9(2)16(8)13(17)10-3-4-11(14)12(15)5-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyFNAYYXXIELXTHG-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3R,5R)-3,5-dimethylmorpholine-4-carbonyl]benzoic acid
CID 118918329
[(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone
CID 178076386
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
[(3S,5S)-3,5-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanone
CID 40622070
(3,4-dichlorophenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 43595419
(3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 110309886
[3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone
CID 43889704
(3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 113329918
(3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 110292329
(3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110292317

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone (CID 110292311) is (3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone is CC1COCC(C)N1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is FNAYYXXIELXTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-8-6-18-7-9(2)16(8)13(17)10-3-4-11(14)12(15)5-10/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone?
(3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 288.17 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 110292311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).