[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone

C19H18BrClN2O3 — CID 33185375

IUPAC[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
SMILESCOc1ccc(Br)c(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H18BrClN2O3/c1-26-15-5-6-17(20)16(12-15)19(25)23-9-7-22(8-10-23)18(24)13-3-2-4-14(21)11-13/h2-6,11-12H,7-10H2,1H3
InChIKeyLIJMENINOWVWEL-UHFFFAOYSA-N
MW437.72 g/mol
LogP3.71
Rot. Bonds3

About [4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone

[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone (PubChem CID 33185375) has the molecular formula C19H18BrClN2O3 and a molecular weight of 437.72 g/mol. Its IUPAC name is [4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
PubChem CID33185375
Molecular FormulaC19H18BrClN2O3
Molecular Weight437.72 g/mol
Exact Mass436.02
IUPAC Name[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
SMILESCOc1ccc(Br)c(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H18BrClN2O3/c1-26-15-5-6-17(20)16(12-15)19(25)23-9-7-22(8-10-23)18(24)13-3-2-4-14(21)11-13/h2-6,11-12H,7-10H2,1H3
InChIKeyLIJMENINOWVWEL-UHFFFAOYSA-N
XLogP3.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.72
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-methoxyphenyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 2710655
4-(2-bromo-5-methoxybenzoyl)piperazine-1-sulfonamide
CID 61040729
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(3-chlorophenyl)methanone
CID 108545174
2-amino-1-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 66953172
[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 33188308
[4-(2-bromo-5-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78849945
(3-chlorophenyl)-[4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]methanone
CID 42666443
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113079578
[4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 60599091
(2-bromo-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55885511
(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591909
(2-bromo-5-methoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856193

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone (CID 33185375) is [4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone is COc1ccc(Br)c(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of [4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is LIJMENINOWVWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O3/c1-26-15-5-6-17(20)16(12-15)19(25)23-9-7-22(8-10-23)18(24)13-3-2-4-14(21)11-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of [4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone has a molecular weight of 437.72 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 33185375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).