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

C19H17Cl3N2O2 — CID 166358091

IUPAC[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1Cl
InChIInChI=1S/C19H17Cl3N2O2/c1-12-3-2-4-15(17(12)22)19(26)24-9-7-23(8-10-24)18(25)14-6-5-13(20)11-16(14)21/h2-6,11H,7-10H2,1H3
InChIKeyRCSIVXNGYJFILZ-UHFFFAOYSA-N
MW411.72 g/mol
LogP4.55
Rot. Bonds2

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

[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 166358091) has the molecular formula C19H17Cl3N2O2 and a molecular weight of 411.72 g/mol. Its IUPAC name is [4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
PubChem CID166358091
Molecular FormulaC19H17Cl3N2O2
Molecular Weight411.72 g/mol
Exact Mass410.04
IUPAC Name[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1Cl
InChIInChI=1S/C19H17Cl3N2O2/c1-12-3-2-4-15(17(12)22)19(26)24-9-7-23(8-10-24)18(25)14-6-5-13(20)11-16(14)21/h2-6,11H,7-10H2,1H3
InChIKeyRCSIVXNGYJFILZ-UHFFFAOYSA-N
XLogP4.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.72
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 55660753
(3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 166355375
(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 1083374
4-(2,4-dichlorobenzoyl)piperazine-1-carbothioamide
CID 2050568
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27562835
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 2050587
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544
4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 25269445
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317244
(2,4-dichlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4807172
3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
CID 55842753

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone (CID 166358091) is [4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone is Cc1cccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1Cl.
What is the InChIKey of [4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is RCSIVXNGYJFILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N2O2/c1-12-3-2-4-15(17(12)22)19(26)24-9-7-23(8-10-24)18(25)14-6-5-13(20)11-16(14)21/h2-6,11H,7-10H2,1H3.
What are the key properties of [4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone?
[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 411.72 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 166358091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).