N-(3-fluoro-4-methylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide

C19H21F2N3O — CID 2264869

IUPACN-(3-fluoro-4-methylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1F
InChIInChI=1S/C19H21F2N3O/c1-14-6-7-15(12-17(14)21)22-19(25)13-23-8-10-24(11-9-23)18-5-3-2-4-16(18)20/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyFUWKTVDGBBBYLG-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.03
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide

N-(3-fluoro-4-methylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 2264869) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID2264869
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1F
InChIInChI=1S/C19H21F2N3O/c1-14-6-7-15(12-17(14)21)22-19(25)13-23-8-10-24(11-9-23)18-5-3-2-4-16(18)20/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyFUWKTVDGBBBYLG-UHFFFAOYSA-N
XLogP3.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (CID 2264869) is N-(3-fluoro-4-methylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is FUWKTVDGBBBYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-14-6-7-15(12-17(14)21)22-19(25)13-23-8-10-24(11-9-23)18-5-3-2-4-16(18)20/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 345.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2264869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).