(3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone

C18H15BrCl2N2O2 — CID 55748861

IUPAC(3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C18H15BrCl2N2O2/c19-13-4-1-3-12(11-13)17(24)22-7-9-23(10-8-22)18(25)14-5-2-6-15(20)16(14)21/h1-6,11H,7-10H2
InChIKeyHGODAVKRQLDEBL-UHFFFAOYSA-N
MW442.14 g/mol
LogP4.35
Rot. Bonds2

About (3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone

(3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone (PubChem CID 55748861) has the molecular formula C18H15BrCl2N2O2 and a molecular weight of 442.14 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
PubChem CID55748861
Molecular FormulaC18H15BrCl2N2O2
Molecular Weight442.14 g/mol
Exact Mass439.97
IUPAC Name(3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C18H15BrCl2N2O2/c19-13-4-1-3-12(11-13)17(24)22-7-9-23(10-8-22)18(25)14-5-2-6-15(20)16(14)21/h1-6,11H,7-10H2
InChIKeyHGODAVKRQLDEBL-UHFFFAOYSA-N
XLogP4.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.14
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-chloropropan-1-one
CID 108568007
(3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 108533598
[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 32521987
2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one
CID 55800240
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55586250
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 55748983
(3-bromophenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone
CID 113076847
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
(3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325535
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone (CID 55748861) is (3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of (3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is HGODAVKRQLDEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrCl2N2O2/c19-13-4-1-3-12(11-13)17(24)22-7-9-23(10-8-22)18(25)14-5-2-6-15(20)16(14)21/h1-6,11H,7-10H2.
What are the key properties of (3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone?
(3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 442.14 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55748861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).