(3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone

C12H12Br2ClNO2 — CID 114018658

IUPAC(3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)N1CCOC(CBr)C1
InChIInChI=1S/C12H12Br2ClNO2/c13-6-11-7-16(1-2-18-11)12(17)8-3-9(14)5-10(15)4-8/h3-5,11H,1-2,6-7H2
InChIKeyZZSZRMFWRUEFSE-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.34
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone

(3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone (PubChem CID 114018658) has the molecular formula C12H12Br2ClNO2 and a molecular weight of 397.49 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone
PubChem CID114018658
Molecular FormulaC12H12Br2ClNO2
Molecular Weight397.49 g/mol
Exact Mass394.89
IUPAC Name(3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)N1CCOC(CBr)C1
InChIInChI=1S/C12H12Br2ClNO2/c13-6-11-7-16(1-2-18-11)12(17)8-3-9(14)5-10(15)4-8/h3-5,11H,1-2,6-7H2
InChIKeyZZSZRMFWRUEFSE-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
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-[4-(3-bromo-5-chlorobenzoyl)morpholin-2-yl]acetic acid
CID 107938149
[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077
[2-(bromomethyl)morpholin-4-yl]-(3,5-dimethylphenyl)methanone
CID 81210603
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone
CID 107940173
[2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 102922742
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 81212043
(3-bromo-5-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103827075
1,3-benzodioxol-5-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81211800
[2-(bromomethyl)morpholin-4-yl]-(4-chloro-2,5-difluorophenyl)methanone
CID 82771247
(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985
(3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 107941509

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone (CID 114018658) is (3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone is O=C(c1cc(Cl)cc(Br)c1)N1CCOC(CBr)C1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone?
The InChIKey is ZZSZRMFWRUEFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2ClNO2/c13-6-11-7-16(1-2-18-11)12(17)8-3-9(14)5-10(15)4-8/h3-5,11H,1-2,6-7H2.
What are the key properties of (3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone?
(3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone has a molecular weight of 397.49 g/mol, XLogP of 3.34, 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-(bromomethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 114018658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).