methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate

C14H15Cl2NO4 — CID 79812879

IUPACmethyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cccc(Cl)c2Cl)CCO1
InChIInChI=1S/C14H15Cl2NO4/c1-20-12(18)7-9-8-17(5-6-21-9)14(19)10-3-2-4-11(15)13(10)16/h2-4,9H,5-8H2,1H3
InChIKeyQJZSABZBKOZBNE-UHFFFAOYSA-N
MW332.18 g/mol
LogP2.40
Rot. Bonds3

About methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate

methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate (PubChem CID 79812879) has the molecular formula C14H15Cl2NO4 and a molecular weight of 332.18 g/mol. Its IUPAC name is methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
PubChem CID79812879
Molecular FormulaC14H15Cl2NO4
Molecular Weight332.18 g/mol
Exact Mass331.04
IUPAC Namemethyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cccc(Cl)c2Cl)CCO1
InChIInChI=1S/C14H15Cl2NO4/c1-20-12(18)7-9-8-17(5-6-21-9)14(19)10-3-2-4-11(15)13(10)16/h2-4,9H,5-8H2,1H3
InChIKeyQJZSABZBKOZBNE-UHFFFAOYSA-N
XLogP2.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(4-bromo-2-chlorobenzoyl)morpholin-2-yl]acetate
CID 79812884
methyl 2-[4-(3-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534948
methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate
CID 103842120
methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
CID 115533261
methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone
CID 98010838
4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945716
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
CID 79812703
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 113226241
methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79812705
methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
CID 115535924

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate (CID 79812879) is methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)c2cccc(Cl)c2Cl)CCO1.
What is the InChIKey of methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate?
The InChIKey is QJZSABZBKOZBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO4/c1-20-12(18)7-9-8-17(5-6-21-9)14(19)10-3-2-4-11(15)13(10)16/h2-4,9H,5-8H2,1H3.
What are the key properties of methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate?
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate has a molecular weight of 332.18 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79812879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).