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

C17H17Cl2N3O3 — CID 109004702

IUPAC2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H17Cl2N3O3/c18-13-4-3-12(10-14(13)19)20-11-16(23)21-5-7-22(8-6-21)17(24)15-2-1-9-25-15/h1-4,9-10,20H,5-8,11H2
InChIKeyNJKNIQIFGDOYAB-UHFFFAOYSA-N
MW382.25 g/mol
LogP2.98
Rot. Bonds4

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

2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 109004702) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID109004702
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H17Cl2N3O3/c18-13-4-3-12(10-14(13)19)20-11-16(23)21-5-7-22(8-6-21)17(24)15-2-1-9-25-15/h1-4,9-10,20H,5-8,11H2
InChIKeyNJKNIQIFGDOYAB-UHFFFAOYSA-N
XLogP2.98
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004662
2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004656
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
3-(3-chloro-4-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030101
2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004660
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 2350113
3,4-dichloro-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 17118164
2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004649
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 112994595
2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004698

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 109004702) is 2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is O=C(CNc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is NJKNIQIFGDOYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c18-13-4-3-12(10-14(13)19)20-11-16(23)21-5-7-22(8-6-21)17(24)15-2-1-9-25-15/h1-4,9-10,20H,5-8,11H2.
What are the key properties of 2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 382.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 109004702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).