(4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone

C12H12BrCl2NO2 — CID 81209438

IUPAC(4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(Br)cc1Cl)N1CCOC(CCl)C1
InChIInChI=1S/C12H12BrCl2NO2/c13-8-1-2-10(11(15)5-8)12(17)16-3-4-18-9(6-14)7-16/h1-2,5,9H,3-4,6-7H2
InChIKeyZZGCXEUHPYKSFA-UHFFFAOYSA-N
MW353.04 g/mol
LogP3.18
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone

(4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone (PubChem CID 81209438) has the molecular formula C12H12BrCl2NO2 and a molecular weight of 353.04 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
PubChem CID81209438
Molecular FormulaC12H12BrCl2NO2
Molecular Weight353.04 g/mol
Exact Mass350.94
IUPAC Name(4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(Br)cc1Cl)N1CCOC(CCl)C1
InChIInChI=1S/C12H12BrCl2NO2/c13-8-1-2-10(11(15)5-8)12(17)16-3-4-18-9(6-14)7-16/h1-2,5,9H,3-4,6-7H2
InChIKeyZZGCXEUHPYKSFA-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.04
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-(4-bromo-2-chlorobenzoyl)morpholin-2-yl]acetate
CID 79812884
[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 81210817
(2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 106503111
[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone
CID 81211544
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205390
[4-bromo-2-(trifluoromethyl)phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103925345
4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile
CID 78945745
(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113330305
(4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 78988641
(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
CID 62068423
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
[4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 103925202

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone (CID 81209438) is (4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone is O=C(c1ccc(Br)cc1Cl)N1CCOC(CCl)C1.
What is the InChIKey of (4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone?
The InChIKey is ZZGCXEUHPYKSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrCl2NO2/c13-8-1-2-10(11(15)5-8)12(17)16-3-4-18-9(6-14)7-16/h1-2,5,9H,3-4,6-7H2.
What are the key properties of (4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone?
(4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone has a molecular weight of 353.04 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81209438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).