1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone

C19H20Cl2N2O2 — CID 170861732

IUPAC1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)CC1
InChIInChI=1S/C19H20Cl2N2O2/c1-22-8-10-23(11-9-22)13-19(24)17-7-6-16(12-18(17)21)25-15-4-2-14(20)3-5-15/h2-7,12H,8-11,13H2,1H3
InChIKeyIHPJTOXBSXGXCI-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.22
Rot. Bonds5

About 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone

1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170861732) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID170861732
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)CC1
InChIInChI=1S/C19H20Cl2N2O2/c1-22-8-10-23(11-9-22)13-19(24)17-7-6-16(12-18(17)21)25-15-4-2-14(20)3-5-15/h2-7,12H,8-11,13H2,1H3
InChIKeyIHPJTOXBSXGXCI-UHFFFAOYSA-N
XLogP4.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;hydrochloride
CID 45052844
1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone
CID 677479
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
(3R)-4,4,4-trichloro-1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-[4-[(2R)-1,1,1-trichloro-4-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-oxobutan-2-yl]piperazin-1-yl]butan-1-one
CID 99687824
1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193900
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone
CID 142752571
1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796259
tert-butyl 4-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 22143020
1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862125
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
1-(4-bromo-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862066
1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone
CID 43227584

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone (CID 170861732) is 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone is CN1CCN(CC(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)CC1.
What is the InChIKey of 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is IHPJTOXBSXGXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-22-8-10-23(11-9-22)13-19(24)17-7-6-16(12-18(17)21)25-15-4-2-14(20)3-5-15/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 379.29 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170861732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).