N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide

C25H26FN3O2 — CID 121380335

IUPACN-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide
SMILESCc1cc(N2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cc3)CC2)c(C)cc1O
InChIInChI=1S/C25H26FN3O2/c1-17-16-24(30)18(2)15-23(17)29-13-11-28(12-14-29)22-9-3-19(4-10-22)25(31)27-21-7-5-20(26)6-8-21/h3-10,15-16,30H,11-14H2,1-2H3,(H,27,31)
InChIKeyBNUYEGSUXDLIBB-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.73
Rot. Bonds4

About N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide

N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide (PubChem CID 121380335) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide
PubChem CID121380335
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC NameN-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide
SMILESCc1cc(N2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cc3)CC2)c(C)cc1O
InChIInChI=1S/C25H26FN3O2/c1-17-16-24(30)18(2)15-23(17)29-13-11-28(12-14-29)22-9-3-19(4-10-22)25(31)27-21-7-5-20(26)6-8-21/h3-10,15-16,30H,11-14H2,1-2H3,(H,27,31)
InChIKeyBNUYEGSUXDLIBB-UHFFFAOYSA-N
XLogP4.73
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2,5-dimethylphenol;N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide
CID 159089116
N-(4-fluorophenyl)-4-[4-(4-hydroxy-3-methylphenyl)piperazin-1-yl]benzamide;tribromoborane
CID 162161258
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42850972
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide
CID 174859465
4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide
CID 44527477
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide
CID 17050565
2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
CID 50782097
3,4-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 113199321
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide (CID 121380335) is N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide is Cc1cc(N2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cc3)CC2)c(C)cc1O.
What is the InChIKey of N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide?
The InChIKey is BNUYEGSUXDLIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-17-16-24(30)18(2)15-23(17)29-13-11-28(12-14-29)22-9-3-19(4-10-22)25(31)27-21-7-5-20(26)6-8-21/h3-10,15-16,30H,11-14H2,1-2H3,(H,27,31).
What are the key properties of N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide?
N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide has a molecular weight of 419.50 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 121380335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).