2-chloro-1-morpholin-4-yl-2-phenylethanone

C12H14ClNO2 — CID 4962514

IUPAC2-chloro-1-morpholin-4-yl-2-phenylethanone
SMILESO=C(C(Cl)c1ccccc1)N1CCOCC1
InChIInChI=1S/C12H14ClNO2/c13-11(10-4-2-1-3-5-10)12(15)14-6-8-16-9-7-14/h1-5,11H,6-9H2
InChIKeyFCAFIWSACLLPGG-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.83
Rot. Bonds2

About 2-chloro-1-morpholin-4-yl-2-phenylethanone

2-chloro-1-morpholin-4-yl-2-phenylethanone (PubChem CID 4962514) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-chloro-1-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name2-chloro-1-morpholin-4-yl-2-phenylethanone
PubChem CID4962514
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-chloro-1-morpholin-4-yl-2-phenylethanone
SMILESO=C(C(Cl)c1ccccc1)N1CCOCC1
InChIInChI=1S/C12H14ClNO2/c13-11(10-4-2-1-3-5-10)12(15)14-6-8-16-9-7-14/h1-5,11H,6-9H2
InChIKeyFCAFIWSACLLPGG-UHFFFAOYSA-N
XLogP1.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-morpholin-4-yl-2-phenylethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-morpholin-4-yl-2-phenylethanone?
The IUPAC name of 2-chloro-1-morpholin-4-yl-2-phenylethanone (CID 4962514) is 2-chloro-1-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for 2-chloro-1-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for 2-chloro-1-morpholin-4-yl-2-phenylethanone is O=C(C(Cl)c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-chloro-1-morpholin-4-yl-2-phenylethanone?
The InChIKey is FCAFIWSACLLPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-11(10-4-2-1-3-5-10)12(15)14-6-8-16-9-7-14/h1-5,11H,6-9H2.
What are the key properties of 2-chloro-1-morpholin-4-yl-2-phenylethanone?
2-chloro-1-morpholin-4-yl-2-phenylethanone has a molecular weight of 239.70 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 4962514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).