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

C12H13BrClNO2 — CID 81211077

IUPAC[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCOC(CBr)C1
InChIInChI=1S/C12H13BrClNO2/c13-7-11-8-15(5-6-17-11)12(16)9-1-3-10(14)4-2-9/h1-4,11H,5-8H2
InChIKeyUIVXBWKWRQNEHE-UHFFFAOYSA-N
MW318.60 g/mol
LogP2.58
Rot. Bonds2

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

[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone (PubChem CID 81211077) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is [2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
PubChem CID81211077
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC Name[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCOC(CBr)C1
InChIInChI=1S/C12H13BrClNO2/c13-7-11-8-15(5-6-17-11)12(16)9-1-3-10(14)4-2-9/h1-4,11H,5-8H2
InChIKeyUIVXBWKWRQNEHE-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 52.58
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-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 81212043
[2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone
CID 81211880
(3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone
CID 114018658
(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
CID 26407031
[2-(bromomethyl)morpholin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 116629329
1,3-benzodioxol-5-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81211800
[2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 102922742
[2-(bromomethyl)morpholin-4-yl]-(3,5-dimethylphenyl)methanone
CID 81210603
[2-(bromomethyl)morpholin-4-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 81210605
[2-(bromomethyl)morpholin-4-yl]-(4-chloro-2,5-difluorophenyl)methanone
CID 82771247
[4-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42861799
[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone
CID 81211544

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone (CID 81211077) is [2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)N1CCOC(CBr)C1.
What is the InChIKey of [2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone?
The InChIKey is UIVXBWKWRQNEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c13-7-11-8-15(5-6-17-11)12(16)9-1-3-10(14)4-2-9/h1-4,11H,5-8H2.
What are the key properties of [2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone?
[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone has a molecular weight of 318.60 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 81211077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).