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

C25H25F2N3O — CID 46157742

IUPACN-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
SMILESO=C(NCc1ccccc1F)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H25F2N3O/c26-22-9-11-23(12-10-22)30-15-13-29(14-16-30)18-19-5-7-20(8-6-19)25(31)28-17-21-3-1-2-4-24(21)27/h1-12H,13-18H2,(H,28,31)
InChIKeyABERHZXAHPFWLG-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.22
Rot. Bonds6

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

N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide (PubChem CID 46157742) has the molecular formula C25H25F2N3O and a molecular weight of 421.49 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
PubChem CID46157742
Molecular FormulaC25H25F2N3O
Molecular Weight421.49 g/mol
Exact Mass421.20
IUPAC NameN-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
SMILESO=C(NCc1ccccc1F)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H25F2N3O/c26-22-9-11-23(12-10-22)30-15-13-29(14-16-30)18-19-5-7-20(8-6-19)25(31)28-17-21-3-1-2-4-24(21)27/h1-12H,13-18H2,(H,28,31)
InChIKeyABERHZXAHPFWLG-UHFFFAOYSA-N
XLogP4.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 42858918
N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46043618
N-[2-(dimethylamino)ethyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46043620
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42858798
2-[(4-fluorobenzoyl)amino]-5-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]benzoic acid
CID 50782033
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42691065
N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide
CID 47027052
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42850972
2-bromo-N-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
CID 139912851
N-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
CID 18423147
4-chloro-N-[[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-1,3-thiazol-5-yl]methyl]benzamide
CID 23108478

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide (CID 46157742) is N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide is O=C(NCc1ccccc1F)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is ABERHZXAHPFWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O/c26-22-9-11-23(12-10-22)30-15-13-29(14-16-30)18-19-5-7-20(8-6-19)25(31)28-17-21-3-1-2-4-24(21)27/h1-12H,13-18H2,(H,28,31).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide?
N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 421.49 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 46157742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).