2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone

C12H12Cl3NO2 — CID 62226501

IUPAC2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone
SMILESO=C(C(Cl)c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C12H12Cl3NO2/c13-8-1-2-9(10(14)7-8)11(15)12(17)16-3-5-18-6-4-16/h1-2,7,11H,3-6H2
InChIKeyCKYTVMDAHPMBFT-UHFFFAOYSA-N
MW308.59 g/mol
LogP3.13
Rot. Bonds2

About 2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone

2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone (PubChem CID 62226501) has the molecular formula C12H12Cl3NO2 and a molecular weight of 308.59 g/mol. Its IUPAC name is 2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone
PubChem CID62226501
Molecular FormulaC12H12Cl3NO2
Molecular Weight308.59 g/mol
Exact Mass306.99
IUPAC Name2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone
SMILESO=C(C(Cl)c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C12H12Cl3NO2/c13-8-1-2-9(10(14)7-8)11(15)12(17)16-3-5-18-6-4-16/h1-2,7,11H,3-6H2
InChIKeyCKYTVMDAHPMBFT-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.59
LogP ≤ 53.13
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-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone
CID 66159358
2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone
CID 106818467
3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64527920
(2,4-dichlorophenyl) morpholine-4-carboxylate
CID 134989455
2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 3007422
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 62074940
2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone
CID 62225934
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 51928393
N-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine
CID 83010331
3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one
CID 86893298

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone (CID 62226501) is 2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone is O=C(C(Cl)c1ccc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of 2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone?
The InChIKey is CKYTVMDAHPMBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl3NO2/c13-8-1-2-9(10(14)7-8)11(15)12(17)16-3-5-18-6-4-16/h1-2,7,11H,3-6H2.
What are the key properties of 2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone?
2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone has a molecular weight of 308.59 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 62226501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).