(5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone

C22H21Cl2FN2O2 — CID 55716635

IUPAC(5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1
InChIInChI=1S/C22H21Cl2FN2O2/c23-16-4-2-15(3-5-16)22(8-1-9-22)21(29)27-12-10-26(11-13-27)20(28)18-14-17(24)6-7-19(18)25/h2-7,14H,1,8-13H2
InChIKeyYAWQGWIHRPVGBS-UHFFFAOYSA-N
MW435.33 g/mol
LogP4.54
Rot. Bonds3

About (5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone

(5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone (PubChem CID 55716635) has the molecular formula C22H21Cl2FN2O2 and a molecular weight of 435.33 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone
PubChem CID55716635
Molecular FormulaC22H21Cl2FN2O2
Molecular Weight435.33 g/mol
Exact Mass434.10
IUPAC Name(5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1
InChIInChI=1S/C22H21Cl2FN2O2/c23-16-4-2-15(3-5-16)22(8-1-9-22)21(29)27-12-10-26(11-13-27)20(28)18-14-17(24)6-7-19(18)25/h2-7,14H,1,8-13H2
InChIKeyYAWQGWIHRPVGBS-UHFFFAOYSA-N
XLogP4.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850151
[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55642127
(5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone
CID 136533613
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615888
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 55716697
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
1-[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 61073381
(5-chloro-2-fluorophenyl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 117044862

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone (CID 55716635) is (5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone is O=C(c1cc(Cl)ccc1F)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone?
The InChIKey is YAWQGWIHRPVGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2FN2O2/c23-16-4-2-15(3-5-16)22(8-1-9-22)21(29)27-12-10-26(11-13-27)20(28)18-14-17(24)6-7-19(18)25/h2-7,14H,1,8-13H2.
What are the key properties of (5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone?
(5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone has a molecular weight of 435.33 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55716635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).