2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone

C12H13Cl2NO2 — CID 116576172

IUPAC2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)C1COCCN1
InChIInChI=1S/C12H13Cl2NO2/c13-9-2-1-8(5-10(9)14)6-12(16)11-7-17-4-3-15-11/h1-2,5,11,15H,3-4,6-7H2
InChIKeyIULIBRFTFOJFOF-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.09
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone

2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone (PubChem CID 116576172) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone
PubChem CID116576172
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)C1COCCN1
InChIInChI=1S/C12H13Cl2NO2/c13-9-2-1-8(5-10(9)14)6-12(16)11-7-17-4-3-15-11/h1-2,5,11,15H,3-4,6-7H2
InChIKeyIULIBRFTFOJFOF-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549674
2-(3,4-dichlorophenyl)-1-morpholin-2-ylethanone
CID 116561578
1-morpholin-3-ylpropan-1-one
CID 54487560
1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone
CID 160534479
N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119808070
2-(3-chloro-4-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 82088330
2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116587940
2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone
CID 107062100
[(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124697933
N-[2-(3,5-dichlorophenyl)ethyl]morpholine-3-carboxamide
CID 119752644
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone
CID 116576444
benzyl (3R)-morpholine-3-carboxylate;hydrochloride
CID 46839509

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone (CID 116576172) is 2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone is O=C(Cc1ccc(Cl)c(Cl)c1)C1COCCN1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone?
The InChIKey is IULIBRFTFOJFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-9-2-1-8(5-10(9)14)6-12(16)11-7-17-4-3-15-11/h1-2,5,11,15H,3-4,6-7H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone?
2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone has a molecular weight of 274.15 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone is sourced from PubChem (CID 116576172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).