N-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide

C17H18Cl2N3O3+ — CID 4755786

IUPACN-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccco2)CC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H17Cl2N3O3/c18-12-8-13(19)10-14(9-12)20-16(23)11-21-3-5-22(6-4-21)17(24)15-2-1-7-25-15/h1-2,7-10H,3-6,11H2,(H,20,23)/p+1
InChIKeyNENBMFOBOLXSAO-UHFFFAOYSA-O
MW383.26 g/mol
LogP1.57
Rot. Bonds4

About N-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide

N-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 4755786) has the molecular formula C17H18Cl2N3O3+ and a molecular weight of 383.26 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
PubChem CID4755786
Molecular FormulaC17H18Cl2N3O3+
Molecular Weight383.26 g/mol
Exact Mass382.07
IUPAC NameN-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccco2)CC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H17Cl2N3O3/c18-12-8-13(19)10-14(9-12)20-16(23)11-21-3-5-22(6-4-21)17(24)15-2-1-7-25-15/h1-2,7-10H,3-6,11H2,(H,20,23)/p+1
InChIKeyNENBMFOBOLXSAO-UHFFFAOYSA-O
XLogP1.57
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932752
N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932693
N-(3,4-difluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide
CID 8549406
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8004778
4-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 8932592
N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 3688257
N-(2,6-diethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932704
[4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 8548683
N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 7399457
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
4-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 2441167
2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 8549129

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide (CID 4755786) is N-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide is O=C(C[NH+]1CCN(C(=O)c2ccco2)CC1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is NENBMFOBOLXSAO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17Cl2N3O3/c18-12-8-13(19)10-14(9-12)20-16(23)11-21-3-5-22(6-4-21)17(24)15-2-1-7-25-15/h1-2,7-10H,3-6,11H2,(H,20,23)/p+1.
What are the key properties of N-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
N-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 383.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 4755786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).