4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

C28H30FN3O — CID 11751130

IUPAC4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESO=C(NC1CCc2cc(CN3CCNCC3)ccc2C1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H30FN3O/c29-26-10-7-22(8-11-26)21-3-5-23(6-4-21)28(33)31-27-12-9-24-17-20(1-2-25(24)18-27)19-32-15-13-30-14-16-32/h1-8,10-11,17,27,30H,9,12-16,18-19H2,(H,31,33)
InChIKeySIQJMRAVQPRGOH-UHFFFAOYSA-N
MW443.57 g/mol
LogP4.19
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 11751130) has the molecular formula C28H30FN3O and a molecular weight of 443.57 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
PubChem CID11751130
Molecular FormulaC28H30FN3O
Molecular Weight443.57 g/mol
Exact Mass443.24
IUPAC Name4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESO=C(NC1CCc2cc(CN3CCNCC3)ccc2C1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H30FN3O/c29-26-10-7-22(8-11-26)21-3-5-23(6-4-21)28(33)31-27-12-9-24-17-20(1-2-25(24)18-27)19-32-15-13-30-14-16-32/h1-8,10-11,17,27,30H,9,12-16,18-19H2,(H,31,33)
InChIKeySIQJMRAVQPRGOH-UHFFFAOYSA-N
XLogP4.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (CID 11751130) is 4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is O=C(NC1CCc2cc(CN3CCNCC3)ccc2C1)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is SIQJMRAVQPRGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O/c29-26-10-7-22(8-11-26)21-3-5-23(6-4-21)28(33)31-27-12-9-24-17-20(1-2-25(24)18-27)19-32-15-13-30-14-16-32/h1-8,10-11,17,27,30H,9,12-16,18-19H2,(H,31,33).
What are the key properties of 4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 443.57 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 11751130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).