4-fluoro-N-[2-[4-(7-hydroxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide

C23H24FN3O2 — CID 19808475

IUPAC4-fluoro-N-[2-[4-(7-hydroxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(c2cccc3ccc(O)cc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O2/c24-19-7-4-18(5-8-19)23(29)25-10-11-26-12-14-27(15-13-26)22-3-1-2-17-6-9-20(28)16-21(17)22/h1-9,16,28H,10-15H2,(H,25,29)
InChIKeyUENYRBDWSVISMK-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.24
Rot. Bonds5

About 4-fluoro-N-[2-[4-(7-hydroxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide

4-fluoro-N-[2-[4-(7-hydroxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide (PubChem CID 19808475) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(7-hydroxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(7-hydroxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
PubChem CID19808475
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name4-fluoro-N-[2-[4-(7-hydroxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(c2cccc3ccc(O)cc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O2/c24-19-7-4-18(5-8-19)23(29)25-10-11-26-12-14-27(15-13-26)22-3-1-2-17-6-9-20(28)16-21(17)22/h1-9,16,28H,10-15H2,(H,25,29)
InChIKeyUENYRBDWSVISMK-UHFFFAOYSA-N
XLogP3.24
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(7-hydroxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[4-(7-hydroxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide (CID 19808475) is 4-fluoro-N-[2-[4-(7-hydroxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(7-hydroxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(7-hydroxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide is O=C(NCCN1CCN(c2cccc3ccc(O)cc23)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[4-(7-hydroxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is UENYRBDWSVISMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-19-7-4-18(5-8-19)23(29)25-10-11-26-12-14-27(15-13-26)22-3-1-2-17-6-9-20(28)16-21(17)22/h1-9,16,28H,10-15H2,(H,25,29).
What are the key properties of 4-fluoro-N-[2-[4-(7-hydroxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide?
4-fluoro-N-[2-[4-(7-hydroxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 393.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(7-hydroxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 19808475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).