2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide

C21H26FN3O — CID 110404026

IUPAC2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
SMILESCN1CCN(C(CNC(=O)c2ccccc2F)Cc2ccccc2)CC1
InChIInChI=1S/C21H26FN3O/c1-24-11-13-25(14-12-24)18(15-17-7-3-2-4-8-17)16-23-21(26)19-9-5-6-10-20(19)22/h2-10,18H,11-16H2,1H3,(H,23,26)
InChIKeyYXXNPVJCBPCZMK-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.41
Rot. Bonds6

About 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide

2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide (PubChem CID 110404026) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
PubChem CID110404026
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
SMILESCN1CCN(C(CNC(=O)c2ccccc2F)Cc2ccccc2)CC1
InChIInChI=1S/C21H26FN3O/c1-24-11-13-25(14-12-24)18(15-17-7-3-2-4-8-17)16-23-21(26)19-9-5-6-10-20(19)22/h2-10,18H,11-16H2,1H3,(H,23,26)
InChIKeyYXXNPVJCBPCZMK-UHFFFAOYSA-N
XLogP2.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404030
3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404024
3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]butanamide
CID 110404076
N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide
CID 110404018
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-fluorobenzamide
CID 7497127
3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110403888
2-fluoro-N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71784593
N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide
CID 110404077
N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 110403885
2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 110617732
2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504562
methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate
CID 110403986

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide (CID 110404026) is 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide is CN1CCN(C(CNC(=O)c2ccccc2F)Cc2ccccc2)CC1.
What is the InChIKey of 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide?
The InChIKey is YXXNPVJCBPCZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-24-11-13-25(14-12-24)18(15-17-7-3-2-4-8-17)16-23-21(26)19-9-5-6-10-20(19)22/h2-10,18H,11-16H2,1H3,(H,23,26).
What are the key properties of 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide?
2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide has a molecular weight of 355.46 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide is sourced from PubChem (CID 110404026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).