N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide

C13H19FN4O — CID 16779735

IUPACN-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(F)cc2N)CC1
InChIInChI=1S/C13H19FN4O/c1-17-4-6-18(7-5-17)9-13(19)16-12-3-2-10(14)8-11(12)15/h2-3,8H,4-7,9,15H2,1H3,(H,16,19)
InChIKeyVGYBSUNRIDRJGR-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.59
Rot. Bonds3

About N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide

N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 16779735) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID16779735
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(F)cc2N)CC1
InChIInChI=1S/C13H19FN4O/c1-17-4-6-18(7-5-17)9-13(19)16-12-3-2-10(14)8-11(12)15/h2-3,8H,4-7,9,15H2,1H3,(H,16,19)
InChIKeyVGYBSUNRIDRJGR-UHFFFAOYSA-N
XLogP0.59
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.59
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

1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16792068
N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43375794
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475
N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43612136
N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60642566
N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440078
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 43619956
N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide
CID 16779496
N-(4-fluoro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 50875792
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102955989

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide (CID 16779735) is N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2ccc(F)cc2N)CC1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is VGYBSUNRIDRJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-17-4-6-18(7-5-17)9-13(19)16-12-3-2-10(14)8-11(12)15/h2-3,8H,4-7,9,15H2,1H3,(H,16,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 266.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 16779735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).