[2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone

C21H19Cl3N2O2 — CID 55660699

IUPAC[2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)C2CC2c2ccccc2Cl)CC1
InChIInChI=1S/C21H19Cl3N2O2/c22-13-5-6-15(19(24)11-13)20(27)25-7-9-26(10-8-25)21(28)17-12-16(17)14-3-1-2-4-18(14)23/h1-6,11,16-17H,7-10,12H2
InChIKeyGZFKOEJLIFZBTM-UHFFFAOYSA-N
MW437.75 g/mol
LogP4.73
Rot. Bonds3

About [2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone

[2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone (PubChem CID 55660699) has the molecular formula C21H19Cl3N2O2 and a molecular weight of 437.75 g/mol. Its IUPAC name is [2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
PubChem CID55660699
Molecular FormulaC21H19Cl3N2O2
Molecular Weight437.75 g/mol
Exact Mass436.05
IUPAC Name[2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)C2CC2c2ccccc2Cl)CC1
InChIInChI=1S/C21H19Cl3N2O2/c22-13-5-6-15(19(24)11-13)20(27)25-7-9-26(10-8-25)21(28)17-12-16(17)14-3-1-2-4-18(14)23/h1-6,11,16-17H,7-10,12H2
InChIKeyGZFKOEJLIFZBTM-UHFFFAOYSA-N
XLogP4.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.75
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone
CID 55550947
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 51292072
[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 124695333
[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 71936528
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 55586130
[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 55660753
[2-(2-chlorophenyl)cyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51291684
[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-(2,4-dichlorophenyl)methanone
CID 121163534
[2-(2-chlorophenyl)cyclopropyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112806323
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 51292018
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51292364
1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 124702859

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone (CID 55660699) is [2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)C2CC2c2ccccc2Cl)CC1.
What is the InChIKey of [2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is GZFKOEJLIFZBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl3N2O2/c22-13-5-6-15(19(24)11-13)20(27)25-7-9-26(10-8-25)21(28)17-12-16(17)14-3-1-2-4-18(14)23/h1-6,11,16-17H,7-10,12H2.
What are the key properties of [2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone?
[2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 437.75 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55660699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).