N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide

C24H22FN3O2 — CID 1300682

IUPACN-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)c1ccccc1
InChIInChI=1S/C24H22FN3O2/c25-20-9-11-22(12-10-20)27-13-15-28(16-14-27)24(30)19-7-4-8-21(17-19)26-23(29)18-5-2-1-3-6-18/h1-12,17H,13-16H2,(H,26,29)
InChIKeyVCDUUNMJRRMLSG-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.04
Rot. Bonds4

About N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide

N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide (PubChem CID 1300682) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide
PubChem CID1300682
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)c1ccccc1
InChIInChI=1S/C24H22FN3O2/c25-20-9-11-22(12-10-20)27-13-15-28(16-14-27)24(30)19-7-4-8-21(17-19)26-23(29)18-5-2-1-3-6-18/h1-12,17H,13-16H2,(H,26,29)
InChIKeyVCDUUNMJRRMLSG-UHFFFAOYSA-N
XLogP4.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide (CID 1300682) is N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide is O=C(Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)c1ccccc1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide?
The InChIKey is VCDUUNMJRRMLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c25-20-9-11-22(12-10-20)27-13-15-28(16-14-27)24(30)19-7-4-8-21(17-19)26-23(29)18-5-2-1-3-6-18/h1-12,17H,13-16H2,(H,26,29).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide?
N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide has a molecular weight of 403.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 1300682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).