[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone

C18H15Cl3N2O2 — CID 39711919

IUPAC[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H15Cl3N2O2/c19-14-4-2-1-3-13(14)18(25)23-9-7-22(8-10-23)17(24)12-5-6-15(20)16(21)11-12/h1-6,11H,7-10H2
InChIKeyXJNAXRATWRIJOL-UHFFFAOYSA-N
MW397.69 g/mol
LogP4.24
Rot. Bonds2

About [4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone

[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone (PubChem CID 39711919) has the molecular formula C18H15Cl3N2O2 and a molecular weight of 397.69 g/mol. Its IUPAC name is [4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
PubChem CID39711919
Molecular FormulaC18H15Cl3N2O2
Molecular Weight397.69 g/mol
Exact Mass396.02
IUPAC Name[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H15Cl3N2O2/c19-14-4-2-1-3-13(14)18(25)23-9-7-22(8-10-23)17(24)12-5-6-15(20)16(21)11-12/h1-6,11H,7-10H2
InChIKeyXJNAXRATWRIJOL-UHFFFAOYSA-N
XLogP4.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.69
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 2050566
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 39565886
phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate
CID 108567662
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 110802816
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
(3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 33463726
(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32530613
(3,4-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6939011

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone?
The IUPAC name of [4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone (CID 39711919) is [4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for [4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone?
The canonical SMILES for [4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone?
The InChIKey is XJNAXRATWRIJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N2O2/c19-14-4-2-1-3-13(14)18(25)23-9-7-22(8-10-23)17(24)12-5-6-15(20)16(21)11-12/h1-6,11H,7-10H2.
What are the key properties of [4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone?
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone has a molecular weight of 397.69 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 39711919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).