N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

C18H19Cl2N3O3 — CID 108990328

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H19Cl2N3O3/c19-14-4-3-13(15(20)12-14)5-6-21-18(25)23-9-7-22(8-10-23)17(24)16-2-1-11-26-16/h1-4,11-12H,5-10H2,(H,21,25)
InChIKeySGMZBCWIPNGRHN-UHFFFAOYSA-N
MW396.27 g/mol
LogP3.30
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 108990328) has the molecular formula C18H19Cl2N3O3 and a molecular weight of 396.27 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID108990328
Molecular FormulaC18H19Cl2N3O3
Molecular Weight396.27 g/mol
Exact Mass395.08
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H19Cl2N3O3/c19-14-4-3-13(15(20)12-14)5-6-21-18(25)23-9-7-22(8-10-23)17(24)16-2-1-11-26-16/h1-4,11-12H,5-10H2,(H,21,25)
InChIKeySGMZBCWIPNGRHN-UHFFFAOYSA-N
XLogP3.30
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 48964145
[4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 8548683
4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3830233
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108990215
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 113213456
N-[(3-chloro-2-methylphenyl)methyl]-4-(furan-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 122563335
N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030220
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 2350113
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
[4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 6987485
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 108990328) is N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is O=C(NCCc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is SGMZBCWIPNGRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3/c19-14-4-3-13(15(20)12-14)5-6-21-18(25)23-9-7-22(8-10-23)17(24)16-2-1-11-26-16/h1-4,11-12H,5-10H2,(H,21,25).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 396.27 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 108990328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).