N-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

C24H24FN3O — CID 1208567

IUPACN-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H24FN3O/c25-22-8-4-5-9-23(22)26-24(29)20-12-10-19(11-13-20)18-27-14-16-28(17-15-27)21-6-2-1-3-7-21/h1-13H,14-18H2,(H,26,29)
InChIKeyOFZLIRIVOWNZBZ-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.40
Rot. Bonds5

About N-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

N-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide (PubChem CID 1208567) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
PubChem CID1208567
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC NameN-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H24FN3O/c25-22-8-4-5-9-23(22)26-24(29)20-12-10-19(11-13-20)18-27-14-16-28(17-15-27)21-6-2-1-3-7-21/h1-13H,14-18H2,(H,26,29)
InChIKeyOFZLIRIVOWNZBZ-UHFFFAOYSA-N
XLogP4.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide (CID 1208567) is N-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is O=C(Nc1ccccc1F)c1ccc(CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The InChIKey is OFZLIRIVOWNZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c25-22-8-4-5-9-23(22)26-24(29)20-12-10-19(11-13-20)18-27-14-16-28(17-15-27)21-6-2-1-3-7-21/h1-13H,14-18H2,(H,26,29).
What are the key properties of N-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
N-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide has a molecular weight of 389.47 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 1208567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).