(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone

C13H16ClFN2O — CID 60675583

IUPAC(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C13H16ClFN2O/c1-2-16-5-7-17(8-6-16)13(18)11-9-10(14)3-4-12(11)15/h3-4,9H,2,5-8H2,1H3
InChIKeyJOYIUUNIGLVBCS-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.26
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone

(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 60675583) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID60675583
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C13H16ClFN2O/c1-2-16-5-7-17(8-6-16)13(18)11-9-10(14)3-4-12(11)15/h3-4,9H,2,5-8H2,1H3
InChIKeyJOYIUUNIGLVBCS-UHFFFAOYSA-N
XLogP2.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113221419
(5-chloro-2-fluorophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95351618
(4-ethylpiperazin-1-yl)-[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60817559
1-[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 61073381
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetonitrile
CID 60970274
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
CID 70215264
(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47136662
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61150797
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 55716288

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone (CID 60675583) is (5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(Cl)ccc2F)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is JOYIUUNIGLVBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-2-16-5-7-17(8-6-16)13(18)11-9-10(14)3-4-12(11)15/h3-4,9H,2,5-8H2,1H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone?
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 270.73 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 60675583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).