[3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone

C12H12Br2ClNO2 — CID 107941454

IUPAC[3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1Br)N1CCOCC1CCl
InChIInChI=1S/C12H12Br2ClNO2/c13-8-1-2-10(11(14)5-8)12(17)16-3-4-18-7-9(16)6-15/h1-2,5,9H,3-4,6-7H2
InChIKeyRKRAVYUODSLFSN-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.29
Rot. Bonds2

About [3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone

[3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone (PubChem CID 107941454) has the molecular formula C12H12Br2ClNO2 and a molecular weight of 397.49 g/mol. Its IUPAC name is [3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone.

Molecular Properties

Compound Name[3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone
PubChem CID107941454
Molecular FormulaC12H12Br2ClNO2
Molecular Weight397.49 g/mol
Exact Mass394.89
IUPAC Name[3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1Br)N1CCOCC1CCl
InChIInChI=1S/C12H12Br2ClNO2/c13-8-1-2-10(11(14)5-8)12(17)16-3-4-18-7-9(16)6-15/h1-2,5,9H,3-4,6-7H2
InChIKeyRKRAVYUODSLFSN-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.29
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)pyrrolidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107941005
(2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114373014
(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832539
[2-(chloromethyl)pyrrolidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114375617
(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 106861970
[3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107673227
(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832545
[3-(chloromethyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811387
(2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 97040195
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107940252
(2-amino-5-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611588
2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone?
The IUPAC name of [3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone (CID 107941454) is [3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone.
What is the SMILES notation for [3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone?
The canonical SMILES for [3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone is O=C(c1ccc(Br)cc1Br)N1CCOCC1CCl.
What is the InChIKey of [3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone?
The InChIKey is RKRAVYUODSLFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2ClNO2/c13-8-1-2-10(11(14)5-8)12(17)16-3-4-18-7-9(16)6-15/h1-2,5,9H,3-4,6-7H2.
What are the key properties of [3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone?
[3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone has a molecular weight of 397.49 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone is sourced from PubChem (CID 107941454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).