1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione

C20H19Cl2NO3 — CID 110356660

IUPAC1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione
SMILESO=C(CCC(=O)N1CCOC(c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2NO3/c21-16-5-1-14(2-6-16)18(24)9-10-20(25)23-11-12-26-19(13-23)15-3-7-17(22)8-4-15/h1-8,19H,9-13H2
InChIKeyNKMXRHLDCUXVDI-UHFFFAOYSA-N
MW392.28 g/mol
LogP4.56
Rot. Bonds5

About 1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione

1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione (PubChem CID 110356660) has the molecular formula C20H19Cl2NO3 and a molecular weight of 392.28 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione
PubChem CID110356660
Molecular FormulaC20H19Cl2NO3
Molecular Weight392.28 g/mol
Exact Mass391.07
IUPAC Name1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione
SMILESO=C(CCC(=O)N1CCOC(c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2NO3/c21-16-5-1-14(2-6-16)18(24)9-10-20(25)23-11-12-26-19(13-23)15-3-7-17(22)8-4-15/h1-8,19H,9-13H2
InChIKeyNKMXRHLDCUXVDI-UHFFFAOYSA-N
XLogP4.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
3-(2-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]propan-1-one
CID 55947512
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone
CID 95197348
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 56757034
1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one
CID 55947771
1-[2-(2-chlorophenyl)morpholin-4-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 110356589
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111430703

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione (CID 110356660) is 1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione is O=C(CCC(=O)N1CCOC(c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione?
The InChIKey is NKMXRHLDCUXVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO3/c21-16-5-1-14(2-6-16)18(24)9-10-20(25)23-11-12-26-19(13-23)15-3-7-17(22)8-4-15/h1-8,19H,9-13H2.
What are the key properties of 1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione?
1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione has a molecular weight of 392.28 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione is sourced from PubChem (CID 110356660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).