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

C17H15BrClFN2O — CID 2203709

IUPAC(5-bromo-2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H15BrClFN2O/c18-12-1-6-16(19)15(11-12)17(23)22-9-7-21(8-10-22)14-4-2-13(20)3-5-14/h1-6,11H,7-10H2
InChIKeyZRHSYWOOXRTAOR-UHFFFAOYSA-N
MW397.68 g/mol
LogP4.20
Rot. Bonds2

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

(5-bromo-2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 2203709) has the molecular formula C17H15BrClFN2O and a molecular weight of 397.68 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID2203709
Molecular FormulaC17H15BrClFN2O
Molecular Weight397.68 g/mol
Exact Mass396.00
IUPAC Name(5-bromo-2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H15BrClFN2O/c18-12-1-6-16(19)15(11-12)17(23)22-9-7-21(8-10-22)14-4-2-13(20)3-5-14/h1-6,11H,7-10H2
InChIKeyZRHSYWOOXRTAOR-UHFFFAOYSA-N
XLogP4.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.68
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methanone, (4-chlorophenyl)[4-(4-fluorophenyl)-1-piperazinyl]-
CID 720118
1-(3-Chlorophenyl)-4-(4-fluorobenzoyl)piperazine
CID 681767
N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)-4-chlorobenzamide
CID 44318782
5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 979198
Piperazine amide, 6k
CID 44236968
[4-(3-Chlorophenyl)piperazin-1-yl](2-fluorophenyl)methanone
CID 739897
1-(3-Chlorophenyl)-4-(3-fluorobenzoyl)piperazine
CID 1122363
5-bromo-2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1254546
N-[2-(4-acetyl-1-piperazinyl)phenyl]-5-bromo-2-chlorobenzamide
CID 1259192
5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 1265599
5-bromo-2-chloro-N-{2-[4-(4-chlorobenzoyl)-1-piperazinyl]phenyl}benzamide
CID 1307587
5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 2197490

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 2203709) is (5-bromo-2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cc(Br)ccc1Cl)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is ZRHSYWOOXRTAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClFN2O/c18-12-1-6-16(19)15(11-12)17(23)22-9-7-21(8-10-22)14-4-2-13(20)3-5-14/h1-6,11H,7-10H2.
What are the key properties of (5-bromo-2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(5-bromo-2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 397.68 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2203709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).