2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone

C13H17ClFN3O — CID 61470206

IUPAC2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C13H17ClFN3O/c1-17-4-6-18(7-5-17)13(19)9-16-10-2-3-11(14)12(15)8-10/h2-3,8,16H,4-7,9H2,1H3
InChIKeyIDINIPQAGLXLPD-UHFFFAOYSA-N
MW285.75 g/mol
LogP1.66
Rot. Bonds3

About 2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone

2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 61470206) has the molecular formula C13H17ClFN3O and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID61470206
Molecular FormulaC13H17ClFN3O
Molecular Weight285.75 g/mol
Exact Mass285.10
IUPAC Name2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C13H17ClFN3O/c1-17-4-6-18(7-5-17)13(19)9-16-10-2-3-11(14)12(15)8-10/h2-3,8,16H,4-7,9H2,1H3
InChIKeyIDINIPQAGLXLPD-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 55117982
2-(4-chloro-3-methoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 107621589
2-(3-chloro-4-methoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28570686
2-(2-chloro-5-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 107528417
2-(3-chloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28580633
1-(4-acetylpiperazin-1-yl)-2-(3,4-difluoroanilino)ethanone
CID 108996222
2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28515284
2-(3-chloro-4-fluoroanilino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995634
2-(3-chloro-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 39369835
2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 79054916
2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002268
2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone
CID 43217887

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone (CID 61470206) is 2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CNc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is IDINIPQAGLXLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3O/c1-17-4-6-18(7-5-17)13(19)9-16-10-2-3-11(14)12(15)8-10/h2-3,8,16H,4-7,9H2,1H3.
What are the key properties of 2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone?
2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 285.75 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 61470206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).