methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate

C14H15BrClNO4 — CID 103842120

IUPACmethyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2ccc(Cl)c(Br)c2)CCO1
InChIInChI=1S/C14H15BrClNO4/c1-20-13(18)7-10-8-17(4-5-21-10)14(19)9-2-3-12(16)11(15)6-9/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyLESCXZXQEGKILG-UHFFFAOYSA-N
MW376.63 g/mol
LogP2.51
Rot. Bonds3

About methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate

methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate (PubChem CID 103842120) has the molecular formula C14H15BrClNO4 and a molecular weight of 376.63 g/mol. Its IUPAC name is methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate
PubChem CID103842120
Molecular FormulaC14H15BrClNO4
Molecular Weight376.63 g/mol
Exact Mass374.99
IUPAC Namemethyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2ccc(Cl)c(Br)c2)CCO1
InChIInChI=1S/C14H15BrClNO4/c1-20-13(18)7-10-8-17(4-5-21-10)14(19)9-2-3-12(16)11(15)6-9/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyLESCXZXQEGKILG-UHFFFAOYSA-N
XLogP2.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113330305
methyl 2-[4-(4-bromo-2-chlorobenzoyl)morpholin-2-yl]acetate
CID 79812884
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950
methyl 2-[4-(3-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534948
methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
CID 115535924
methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79812705
methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
CID 115533261
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
CID 79812879
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
CID 79812703
4-(3-bromo-4-chlorobenzoyl)morpholine-2-carbothioamide
CID 107999080
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate (CID 103842120) is methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)c2ccc(Cl)c(Br)c2)CCO1.
What is the InChIKey of methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate?
The InChIKey is LESCXZXQEGKILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO4/c1-20-13(18)7-10-8-17(4-5-21-10)14(19)9-2-3-12(16)11(15)6-9/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate?
methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate has a molecular weight of 376.63 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate is sourced from PubChem (CID 103842120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).