2-(3-chloroanilino)-1-morpholin-4-ylethanone

C12H15ClN2O2 — CID 28580621

IUPAC2-(3-chloroanilino)-1-morpholin-4-ylethanone
SMILESO=C(CNc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C12H15ClN2O2/c13-10-2-1-3-11(8-10)14-9-12(16)15-4-6-17-7-5-15/h1-3,8,14H,4-7,9H2
InChIKeyVUTUOMWNLJOUNG-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.61
Rot. Bonds3

About 2-(3-chloroanilino)-1-morpholin-4-ylethanone

2-(3-chloroanilino)-1-morpholin-4-ylethanone (PubChem CID 28580621) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(3-chloroanilino)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3-chloroanilino)-1-morpholin-4-ylethanone
PubChem CID28580621
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-(3-chloroanilino)-1-morpholin-4-ylethanone
SMILESO=C(CNc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C12H15ClN2O2/c13-10-2-1-3-11(8-10)14-9-12(16)15-4-6-17-7-5-15/h1-3,8,14H,4-7,9H2
InChIKeyVUTUOMWNLJOUNG-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aziridin-1-yl)-2-(3-chloroanilino)ethanone
CID 131042783
1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 108996168
2-(3-chloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28580633
N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943524
2-(3-tert-butylanilino)-1-morpholin-4-ylethanone
CID 59090711
1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 109002032
2-(3-chloroanilino)-1-(1,4-diazepan-1-yl)ethanone
CID 142710170
2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004656
2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 47145291
1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 4009166
2-(3-butan-2-yloxyanilino)-1-morpholin-4-ylethanone
CID 54830369
2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone
CID 113242520

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3-chloroanilino)-1-morpholin-4-ylethanone (CID 28580621) is 2-(3-chloroanilino)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3-chloroanilino)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3-chloroanilino)-1-morpholin-4-ylethanone is O=C(CNc1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of 2-(3-chloroanilino)-1-morpholin-4-ylethanone?
The InChIKey is VUTUOMWNLJOUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-2-1-3-11(8-10)14-9-12(16)15-4-6-17-7-5-15/h1-3,8,14H,4-7,9H2.
What are the key properties of 2-(3-chloroanilino)-1-morpholin-4-ylethanone?
2-(3-chloroanilino)-1-morpholin-4-ylethanone has a molecular weight of 254.72 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-1-morpholin-4-ylethanone is sourced from PubChem (CID 28580621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).