N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride

C20H27Cl2FN4O — CID 120569030

IUPACN-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride
SMILESCc1ccc(N)cc1NC(=O)C(C)N1CCN(c2ccc(F)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H25FN4O.2ClH/c1-14-3-6-17(22)13-19(14)23-20(26)15(2)24-9-11-25(12-10-24)18-7-4-16(21)5-8-18;;/h3-8,13,15H,9-12,22H2,1-2H3,(H,23,26);2*1H
InChIKeyFBBTZPUHCFLSSG-UHFFFAOYSA-N
MW429.37 g/mol
LogP3.71
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride

N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride (PubChem CID 120569030) has the molecular formula C20H27Cl2FN4O and a molecular weight of 429.37 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride
PubChem CID120569030
Molecular FormulaC20H27Cl2FN4O
Molecular Weight429.37 g/mol
Exact Mass428.15
IUPAC NameN-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride
SMILESCc1ccc(N)cc1NC(=O)C(C)N1CCN(c2ccc(F)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H25FN4O.2ClH/c1-14-3-6-17(22)13-19(14)23-20(26)15(2)24-9-11-25(12-10-24)18-7-4-16(21)5-8-18;;/h3-8,13,15H,9-12,22H2,1-2H3,(H,23,26);2*1H
InChIKeyFBBTZPUHCFLSSG-UHFFFAOYSA-N
XLogP3.71
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431310
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51167962
N-(2,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46800951
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019504
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 86968144
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496
N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779419
N-(6-amino-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 119516115
N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114110

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride (CID 120569030) is N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride is Cc1ccc(N)cc1NC(=O)C(C)N1CCN(c2ccc(F)cc2)CC1.Cl.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride?
The InChIKey is FBBTZPUHCFLSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O.2ClH/c1-14-3-6-17(22)13-19(14)23-20(26)15(2)24-9-11-25(12-10-24)18-7-4-16(21)5-8-18;;/h3-8,13,15H,9-12,22H2,1-2H3,(H,23,26);2*1H.
What are the key properties of N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride?
N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride has a molecular weight of 429.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride is sourced from PubChem (CID 120569030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).