N-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide

C20H25FN4O — CID 18423147

IUPACN-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1N
InChIInChI=1S/C20H25FN4O/c1-15(26)23-13-17-3-2-16(12-20(17)22)14-24-8-10-25(11-9-24)19-6-4-18(21)5-7-19/h2-7,12H,8-11,13-14,22H2,1H3,(H,23,26)
InChIKeyXQIBLAVQOLATMX-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.37
Rot. Bonds5

About N-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide

N-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide (PubChem CID 18423147) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
PubChem CID18423147
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC NameN-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1N
InChIInChI=1S/C20H25FN4O/c1-15(26)23-13-17-3-2-16(12-20(17)22)14-24-8-10-25(11-9-24)19-6-4-18(21)5-7-19/h2-7,12H,8-11,13-14,22H2,1H3,(H,23,26)
InChIKeyXQIBLAVQOLATMX-UHFFFAOYSA-N
XLogP2.37
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide (CID 18423147) is N-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1N.
What is the InChIKey of N-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide?
The InChIKey is XQIBLAVQOLATMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-15(26)23-13-17-3-2-16(12-20(17)22)14-24-8-10-25(11-9-24)19-6-4-18(21)5-7-19/h2-7,12H,8-11,13-14,22H2,1H3,(H,23,26).
What are the key properties of N-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide?
N-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide has a molecular weight of 356.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 18423147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).