3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide

C19H19Cl3FN3O — CID 142695542

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
SMILESO=C(CCN1CCN(c2ccc(F)cc2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl3FN3O/c20-16-11-14(12-17(21)19(16)22)24-18(27)5-6-25-7-9-26(10-8-25)15-3-1-13(23)2-4-15/h1-4,11-12H,5-10H2,(H,24,27)
InChIKeyLGIYJFPNJDSKFK-UHFFFAOYSA-N
MW430.74 g/mol
LogP4.94
Rot. Bonds5

About 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide

3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide (PubChem CID 142695542) has the molecular formula C19H19Cl3FN3O and a molecular weight of 430.74 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
PubChem CID142695542
Molecular FormulaC19H19Cl3FN3O
Molecular Weight430.74 g/mol
Exact Mass429.06
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
SMILESO=C(CCN1CCN(c2ccc(F)cc2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl3FN3O/c20-16-11-14(12-17(21)19(16)22)24-18(27)5-6-25-7-9-26(10-8-25)15-3-1-13(23)2-4-15/h1-4,11-12H,5-10H2,(H,24,27)
InChIKeyLGIYJFPNJDSKFK-UHFFFAOYSA-N
XLogP4.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.74
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide
CID 25169359
N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027329
N-(2,6-dichlorophenyl)-3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019613
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695553
N-(3-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 981650
methyl 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109027365
N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027339
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027327
N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30099925
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 42858886
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206
N-[2-(4-fluorophenyl)ethyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109024942

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide (CID 142695542) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide is O=C(CCN1CCN(c2ccc(F)cc2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide?
The InChIKey is LGIYJFPNJDSKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3FN3O/c20-16-11-14(12-17(21)19(16)22)24-18(27)5-6-25-7-9-26(10-8-25)15-3-1-13(23)2-4-15/h1-4,11-12H,5-10H2,(H,24,27).
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide?
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide has a molecular weight of 430.74 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 142695542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).