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

C18H19Cl2N3O3 — CID 109030220

IUPACN-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N3O3/c19-13-3-4-15(14(20)12-13)21-17(24)5-6-22-7-9-23(10-8-22)18(25)16-2-1-11-26-16/h1-4,11-12H,5-10H2,(H,21,24)
InChIKeyBYUPHTSZYDOBSU-UHFFFAOYSA-N
MW396.27 g/mol
LogP3.37
Rot. Bonds5

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

N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 109030220) has the molecular formula C18H19Cl2N3O3 and a molecular weight of 396.27 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID109030220
Molecular FormulaC18H19Cl2N3O3
Molecular Weight396.27 g/mol
Exact Mass395.08
IUPAC NameN-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N3O3/c19-13-3-4-15(14(20)12-13)21-17(24)5-6-22-7-9-23(10-8-22)18(25)16-2-1-11-26-16/h1-4,11-12H,5-10H2,(H,21,24)
InChIKeyBYUPHTSZYDOBSU-UHFFFAOYSA-N
XLogP3.37
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37376096
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 5205501
N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030173
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate
CID 109030209
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109030197
N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027205
N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37376304
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932693
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030213

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (CID 109030220) is N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is O=C(CCN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is BYUPHTSZYDOBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3/c19-13-3-4-15(14(20)12-13)21-17(24)5-6-22-7-9-23(10-8-22)18(25)16-2-1-11-26-16/h1-4,11-12H,5-10H2,(H,21,24).
What are the key properties of N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 396.27 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109030220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).