4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide

C23H22FN3O — CID 112983940

IUPAC4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3)CC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O/c24-19-8-6-18(7-9-19)23(28)25-20-10-12-22(13-11-20)27-16-14-26(15-17-27)21-4-2-1-3-5-21/h1-13H,14-17H2,(H,25,28)
InChIKeyYNOLRNOISDUKMR-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.40
Rot. Bonds4

About 4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide

4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide (PubChem CID 112983940) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
PubChem CID112983940
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3)CC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O/c24-19-8-6-18(7-9-19)23(28)25-20-10-12-22(13-11-20)27-16-14-26(15-17-27)21-4-2-1-3-5-21/h1-13H,14-17H2,(H,25,28)
InChIKeyYNOLRNOISDUKMR-UHFFFAOYSA-N
XLogP4.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109237578
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide
CID 174859465
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983945
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202
N-(4-benzoylphenyl)-4-piperazin-1-ylbenzamide
CID 174547037
2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
CID 50782097
N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide
CID 121380335
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide
CID 39052757
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide (CID 112983940) is 4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide is O=C(Nc1ccc(N2CCN(c3ccccc3)CC2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is YNOLRNOISDUKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-19-8-6-18(7-9-19)23(28)25-20-10-12-22(13-11-20)27-16-14-26(15-17-27)21-4-2-1-3-5-21/h1-13H,14-17H2,(H,25,28).
What are the key properties of 4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide?
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 375.45 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 112983940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).