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

C12H13Cl2NO2 — CID 1485657

IUPAC2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C12H13Cl2NO2/c13-10-2-1-9(7-11(10)14)8-12(16)15-3-5-17-6-4-15/h1-2,7H,3-6,8H2
InChIKeyYRXBCABTWOMPCP-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.39
Rot. Bonds2

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

2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone (PubChem CID 1485657) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
PubChem CID1485657
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C12H13Cl2NO2/c13-10-2-1-9(7-11(10)14)8-12(16)15-3-5-17-6-4-15/h1-2,7H,3-6,8H2
InChIKeyYRXBCABTWOMPCP-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 112763003
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 134061564
4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide
CID 63046673
1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one
CID 67707252
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562541
2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone
CID 69370465
1-[2-(3,4-dichlorophenyl)acetyl]piperidine-4-carbonitrile
CID 49064702
1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123688
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119562540
2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone
CID 25031483

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone (CID 1485657) is 2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone is O=C(Cc1ccc(Cl)c(Cl)c1)N1CCOCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone?
The InChIKey is YRXBCABTWOMPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-10-2-1-9(7-11(10)14)8-12(16)15-3-5-17-6-4-15/h1-2,7H,3-6,8H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone?
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone has a molecular weight of 274.15 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 1485657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).