3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide

C17H19FN4O — CID 100633877

IUPAC3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)c(N)c1
InChIInChI=1S/C17H19FN4O/c18-13-3-1-2-4-15(13)21-7-9-22(10-8-21)16-6-5-12(17(20)23)11-14(16)19/h1-6,11H,7-10,19H2,(H2,20,23)
InChIKeyRGOFXNYHUJQIPN-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.83
Rot. Bonds3

About 3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide

3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide (PubChem CID 100633877) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide
PubChem CID100633877
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)c(N)c1
InChIInChI=1S/C17H19FN4O/c18-13-3-1-2-4-15(13)21-7-9-22(10-8-21)16-6-5-12(17(20)23)11-14(16)19/h1-6,11H,7-10,19H2,(H2,20,23)
InChIKeyRGOFXNYHUJQIPN-UHFFFAOYSA-N
XLogP1.83
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide?
The IUPAC name of 3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide (CID 100633877) is 3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide?
The canonical SMILES for 3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)c(N)c1.
What is the InChIKey of 3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide?
The InChIKey is RGOFXNYHUJQIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-13-3-1-2-4-15(13)21-7-9-22(10-8-21)16-6-5-12(17(20)23)11-14(16)19/h1-6,11H,7-10,19H2,(H2,20,23).
What are the key properties of 3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide?
3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide has a molecular weight of 314.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 100633877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).