(3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone

C18H16ClFN2O3 — CID 33463726

IUPAC(3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(O)c(Cl)c1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H16ClFN2O3/c19-14-11-12(5-6-16(14)23)17(24)21-7-9-22(10-8-21)18(25)13-3-1-2-4-15(13)20/h1-6,11,23H,7-10H2
InChIKeyUASQOQWSGJCRPP-UHFFFAOYSA-N
MW362.79 g/mol
LogP2.78
Rot. Bonds2

About (3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone

(3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone (PubChem CID 33463726) has the molecular formula C18H16ClFN2O3 and a molecular weight of 362.79 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
PubChem CID33463726
Molecular FormulaC18H16ClFN2O3
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC Name(3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(O)c(Cl)c1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H16ClFN2O3/c19-14-11-12(5-6-16(14)23)17(24)21-7-9-22(10-8-21)18(25)13-3-1-2-4-15(13)20/h1-6,11,23H,7-10H2
InChIKeyUASQOQWSGJCRPP-UHFFFAOYSA-N
XLogP2.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365044
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365249
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850151
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453677
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
[4-(2-fluorobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 579725
4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 2050566

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone (CID 33463726) is (3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone is O=C(c1ccc(O)c(Cl)c1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is UASQOQWSGJCRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O3/c19-14-11-12(5-6-16(14)23)17(24)21-7-9-22(10-8-21)18(25)13-3-1-2-4-15(13)20/h1-6,11,23H,7-10H2.
What are the key properties of (3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
(3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 362.79 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 33463726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).