N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide

C15H23FN4O — CID 16786188

IUPACN-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(C(C)C(=O)Nc2cc(N)ccc2F)CC1
InChIInChI=1S/C15H23FN4O/c1-3-19-6-8-20(9-7-19)11(2)15(21)18-14-10-12(17)4-5-13(14)16/h4-5,10-11H,3,6-9,17H2,1-2H3,(H,18,21)
InChIKeyVBLVWYJVUIKXFU-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.37
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide

N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide (PubChem CID 16786188) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
PubChem CID16786188
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(C(C)C(=O)Nc2cc(N)ccc2F)CC1
InChIInChI=1S/C15H23FN4O/c1-3-19-6-8-20(9-7-19)11(2)15(21)18-14-10-12(17)4-5-13(14)16/h4-5,10-11H,3,6-9,17H2,1-2H3,(H,18,21)
InChIKeyVBLVWYJVUIKXFU-UHFFFAOYSA-N
XLogP1.37
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.37
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

N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16787878
N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188944
N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355524
N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569430
N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66391278
(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30623055
N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779221
N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874
N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86909784
N-cyclopropyl-2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 43037820
N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride
CID 120569030
N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 16789447

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide (CID 16786188) is N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide is CCN1CCN(C(C)C(=O)Nc2cc(N)ccc2F)CC1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide?
The InChIKey is VBLVWYJVUIKXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-3-19-6-8-20(9-7-19)11(2)15(21)18-14-10-12(17)4-5-13(14)16/h4-5,10-11H,3,6-9,17H2,1-2H3,(H,18,21).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide?
N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide has a molecular weight of 294.37 g/mol, XLogP of 1.37, 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-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 16786188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).