N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide

C20H23FN4O2 — CID 108954773

IUPACN'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
SMILESCN1CCN(c2ccc(NC(=O)CC(=O)Nc3ccccc3F)cc2)CC1
InChIInChI=1S/C20H23FN4O2/c1-24-10-12-25(13-11-24)16-8-6-15(7-9-16)22-19(26)14-20(27)23-18-5-3-2-4-17(18)21/h2-9H,10-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyLHGYJZQYUUEZCP-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.54
Rot. Bonds5

About N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide

N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide (PubChem CID 108954773) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
PubChem CID108954773
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
SMILESCN1CCN(c2ccc(NC(=O)CC(=O)Nc3ccccc3F)cc2)CC1
InChIInChI=1S/C20H23FN4O2/c1-24-10-12-25(13-11-24)16-8-6-15(7-9-16)22-19(26)14-20(27)23-18-5-3-2-4-17(18)21/h2-9H,10-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyLHGYJZQYUUEZCP-UHFFFAOYSA-N
XLogP2.54
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 7491916
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008370
2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109007621
N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954690
(E)-3-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 30857317
N-[2-(4-fluorophenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108948472
N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109037833
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 22692234
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53283554
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 5019099
4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid
CID 69450119

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide?
The IUPAC name of N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide (CID 108954773) is N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide?
The canonical SMILES for N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide is CN1CCN(c2ccc(NC(=O)CC(=O)Nc3ccccc3F)cc2)CC1.
What is the InChIKey of N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide?
The InChIKey is LHGYJZQYUUEZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-24-10-12-25(13-11-24)16-8-6-15(7-9-16)22-19(26)14-20(27)23-18-5-3-2-4-17(18)21/h2-9H,10-14H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide?
N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide has a molecular weight of 370.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide is sourced from PubChem (CID 108954773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).