1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione

C20H19Cl2NO3 — CID 110416762

IUPAC1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione
SMILESO=C(CCC(=O)N1CCOC(c2cccc(Cl)c2)C1)c1ccccc1Cl
InChIInChI=1S/C20H19Cl2NO3/c21-15-5-3-4-14(12-15)19-13-23(10-11-26-19)20(25)9-8-18(24)16-6-1-2-7-17(16)22/h1-7,12,19H,8-11,13H2
InChIKeyKMWGJXUYDKMWOG-UHFFFAOYSA-N
MW392.28 g/mol
LogP4.56
Rot. Bonds5

About 1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione

1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione (PubChem CID 110416762) has the molecular formula C20H19Cl2NO3 and a molecular weight of 392.28 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione
PubChem CID110416762
Molecular FormulaC20H19Cl2NO3
Molecular Weight392.28 g/mol
Exact Mass391.07
IUPAC Name1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione
SMILESO=C(CCC(=O)N1CCOC(c2cccc(Cl)c2)C1)c1ccccc1Cl
InChIInChI=1S/C20H19Cl2NO3/c21-15-5-3-4-14(12-15)19-13-23(10-11-26-19)20(25)9-8-18(24)16-6-1-2-7-17(16)22/h1-7,12,19H,8-11,13H2
InChIKeyKMWGJXUYDKMWOG-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

Analyze 1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-(3-chlorophenyl)morpholin-4-yl]-3-oxopropyl]acetamide
CID 110355151
1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one
CID 124618590
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one
CID 110356623
1-[2-(3-chlorophenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110326972
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one
CID 110356643
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 146131766
1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione
CID 110356660
1-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 124618430
3-(2-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]propan-1-one
CID 55947512
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 121134473
2,5-dichloro-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 30851129

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione?
The IUPAC name of 1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione (CID 110416762) is 1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione?
The canonical SMILES for 1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione is O=C(CCC(=O)N1CCOC(c2cccc(Cl)c2)C1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione?
The InChIKey is KMWGJXUYDKMWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO3/c21-15-5-3-4-14(12-15)19-13-23(10-11-26-19)20(25)9-8-18(24)16-6-1-2-7-17(16)22/h1-7,12,19H,8-11,13H2.
What are the key properties of 1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione?
1-(2-chlorophenyl)-4-[2-(3-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-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione is sourced from PubChem (CID 110416762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).