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

C18H17BrClFN2O — CID 8642632

IUPAC(5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1F)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H17BrClFN2O/c19-14-4-5-17(21)16(11-14)18(24)23-8-6-22(7-9-23)12-13-2-1-3-15(20)10-13/h1-5,10-11H,6-9,12H2
InChIKeyOIPAFKSNYNVIPP-UHFFFAOYSA-N
MW411.70 g/mol
LogP4.20
Rot. Bonds3

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

(5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 8642632) has the molecular formula C18H17BrClFN2O and a molecular weight of 411.70 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID8642632
Molecular FormulaC18H17BrClFN2O
Molecular Weight411.70 g/mol
Exact Mass410.02
IUPAC Name(5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1F)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H17BrClFN2O/c19-14-4-5-17(21)16(11-14)18(24)23-8-6-22(7-9-23)12-13-2-1-3-15(20)10-13/h1-5,10-11H,6-9,12H2
InChIKeyOIPAFKSNYNVIPP-UHFFFAOYSA-N
XLogP4.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.70
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone;oxalic acid
CID 648267
1-[(4-bromophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine;oxalic acid
CID 2873915
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-iodophenyl)methanone
CID 19323523
N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 17377817
(3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325535
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 19323616
(2,4-dibromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 155541603
[3-[(3-bromophenoxy)methyl]phenyl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19323572
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(5-chloro-2-fluorophenyl)methanone
CID 55415388
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
(2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 78788996
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-(3,6-dichloro-1-benzothiophen-2-yl)methanone
CID 22196754

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 8642632) is (5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1cc(Br)ccc1F)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is OIPAFKSNYNVIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClFN2O/c19-14-4-5-17(21)16(11-14)18(24)23-8-6-22(7-9-23)12-13-2-1-3-15(20)10-13/h1-5,10-11H,6-9,12H2.
What are the key properties of (5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
(5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 411.70 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 8642632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).