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

C18H15BrClFN2O2 — CID 32521987

IUPAC[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C18H15BrClFN2O2/c19-13-4-5-16(20)15(11-13)18(25)23-8-6-22(7-9-23)17(24)12-2-1-3-14(21)10-12/h1-5,10-11H,6-9H2
InChIKeyFEAPBOPPZNECSP-UHFFFAOYSA-N
MW425.69 g/mol
LogP3.84
Rot. Bonds2

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

[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 32521987) has the molecular formula C18H15BrClFN2O2 and a molecular weight of 425.69 g/mol. Its IUPAC name is [4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID32521987
Molecular FormulaC18H15BrClFN2O2
Molecular Weight425.69 g/mol
Exact Mass424.00
IUPAC Name[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C18H15BrClFN2O2/c19-13-4-5-16(20)15(11-13)18(25)23-8-6-22(7-9-23)17(24)12-2-1-3-14(21)10-12/h1-5,10-11H,6-9H2
InChIKeyFEAPBOPPZNECSP-UHFFFAOYSA-N
XLogP3.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.69
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(4-bromophenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone;oxalic acid
CID 17366433
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
(3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55748861
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 33188308
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54912287
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
(5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone
CID 80662663
(5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 17249306
[4-(2-chloroethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 39161614

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone (CID 32521987) is [4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCN(C(=O)c2cc(Br)ccc2Cl)CC1.
What is the InChIKey of [4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is FEAPBOPPZNECSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClFN2O2/c19-13-4-5-16(20)15(11-13)18(25)23-8-6-22(7-9-23)17(24)12-2-1-3-14(21)10-12/h1-5,10-11H,6-9H2.
What are the key properties of [4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 425.69 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 32521987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).