2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one

C20H21Cl2NO2 — CID 55982913

IUPAC2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCOC(c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21Cl2NO2/c1-20(2,15-5-9-17(22)10-6-15)19(24)23-11-12-25-18(13-23)14-3-7-16(21)8-4-14/h3-10,18H,11-13H2,1-2H3
InChIKeyRWTIPGOAKMPXGZ-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.87
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one

2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one (PubChem CID 55982913) has the molecular formula C20H21Cl2NO2 and a molecular weight of 378.30 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one
PubChem CID55982913
Molecular FormulaC20H21Cl2NO2
Molecular Weight378.30 g/mol
Exact Mass377.09
IUPAC Name2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCOC(c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21Cl2NO2/c1-20(2,15-5-9-17(22)10-6-15)19(24)23-11-12-25-18(13-23)14-3-7-16(21)8-4-14/h3-10,18H,11-13H2,1-2H3
InChIKeyRWTIPGOAKMPXGZ-UHFFFAOYSA-N
XLogP4.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 56751067
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 110327064
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 80543163
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 107569033
(4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 87011263
ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate
CID 94610167

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one (CID 55982913) is 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one is CC(C)(C(=O)N1CCOC(c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one?
The InChIKey is RWTIPGOAKMPXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO2/c1-20(2,15-5-9-17(22)10-6-15)19(24)23-11-12-25-18(13-23)14-3-7-16(21)8-4-14/h3-10,18H,11-13H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one?
2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one has a molecular weight of 378.30 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 55982913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).