2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C17H18ClN3O3 — CID 109004656

IUPAC2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CNc1cccc(Cl)c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H18ClN3O3/c18-13-3-1-4-14(11-13)19-12-16(22)20-6-8-21(9-7-20)17(23)15-5-2-10-24-15/h1-5,10-11,19H,6-9,12H2
InChIKeyFSOAIPGJUREPPZ-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.33
Rot. Bonds4

About 2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 109004656) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID109004656
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CNc1cccc(Cl)c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H18ClN3O3/c18-13-3-1-4-14(11-13)19-12-16(22)20-6-8-21(9-7-20)17(23)15-5-2-10-24-15/h1-5,10-11,19H,6-9,12H2
InChIKeyFSOAIPGJUREPPZ-UHFFFAOYSA-N
XLogP2.33
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004702
2-(3-chloro-4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004662
1-(aziridin-1-yl)-2-(3-chloroanilino)ethanone
CID 131042783
2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004660
1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 108996168
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 109002032
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
2-(3-chloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28580633
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004649

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 109004656) is 2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is O=C(CNc1cccc(Cl)c1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is FSOAIPGJUREPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c18-13-3-1-4-14(11-13)19-12-16(22)20-6-8-21(9-7-20)17(23)15-5-2-10-24-15/h1-5,10-11,19H,6-9,12H2.
What are the key properties of 2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 347.80 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 109004656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).