(3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone

C13H14BrCl2NO2 — CID 107941509

IUPAC(3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2cc(Cl)cc(Br)c2)CC(CCl)O1
InChIInChI=1S/C13H14BrCl2NO2/c1-8-6-17(7-12(5-15)19-8)13(18)9-2-10(14)4-11(16)3-9/h2-4,8,12H,5-7H2,1H3
InChIKeyHPRMHTRPCMKRBL-UHFFFAOYSA-N
MW367.07 g/mol
LogP3.57
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone

(3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 107941509) has the molecular formula C13H14BrCl2NO2 and a molecular weight of 367.07 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID107941509
Molecular FormulaC13H14BrCl2NO2
Molecular Weight367.07 g/mol
Exact Mass364.96
IUPAC Name(3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2cc(Cl)cc(Br)c2)CC(CCl)O1
InChIInChI=1S/C13H14BrCl2NO2/c1-8-6-17(7-12(5-15)19-8)13(18)9-2-10(14)4-11(16)3-9/h2-4,8,12H,5-7H2,1H3
InChIKeyHPRMHTRPCMKRBL-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.07
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102937402
(3-bromo-5-chlorophenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 103827047
(3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 103827056
(5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 106690235
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 102937454
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone
CID 102937738
(3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone
CID 114018658
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-bromo-5-chlorophenyl)methanone
CID 103827020
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107706233
(4-bromo-2,6-difluorophenyl)-[2-(bromomethyl)-6-methylmorpholin-4-yl]methanone
CID 102937775
2-[4-(3-bromo-5-chlorobenzoyl)morpholin-2-yl]acetic acid
CID 107938149

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone (CID 107941509) is (3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone is CC1CN(C(=O)c2cc(Cl)cc(Br)c2)CC(CCl)O1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is HPRMHTRPCMKRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrCl2NO2/c1-8-6-17(7-12(5-15)19-8)13(18)9-2-10(14)4-11(16)3-9/h2-4,8,12H,5-7H2,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone?
(3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 367.07 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 107941509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).