2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

C24H28F4N4O2 — CID 42921497

IUPAC2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCC(C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C24H28F4N4O2/c1-17(32-13-11-31(12-14-32)15-18-7-3-5-9-20(18)25)23(34)30(2)16-22(33)29-21-10-6-4-8-19(21)24(26,27)28/h3-10,17H,11-16H2,1-2H3,(H,29,33)
InChIKeyRQPHQYJSDYCIGH-UHFFFAOYSA-N
MW480.51 g/mol
LogP3.45
Rot. Bonds7

About 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (PubChem CID 42921497) has the molecular formula C24H28F4N4O2 and a molecular weight of 480.51 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
PubChem CID42921497
Molecular FormulaC24H28F4N4O2
Molecular Weight480.51 g/mol
Exact Mass480.21
IUPAC Name2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCC(C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C24H28F4N4O2/c1-17(32-13-11-31(12-14-32)15-18-7-3-5-9-20(18)25)23(34)30(2)16-22(33)29-21-10-6-4-8-19(21)24(26,27)28/h3-10,17H,11-16H2,1-2H3,(H,29,33)
InChIKeyRQPHQYJSDYCIGH-UHFFFAOYSA-N
XLogP3.45
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 98539892
N-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 42929030
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 46802310
(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 30642247
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide
CID 27100580
2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 18112777
2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55565664
2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 42919555
(2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 32721522
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286389

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The IUPAC name of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (CID 42921497) is 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is CC(C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The InChIKey is RQPHQYJSDYCIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N4O2/c1-17(32-13-11-31(12-14-32)15-18-7-3-5-9-20(18)25)23(34)30(2)16-22(33)29-21-10-6-4-8-19(21)24(26,27)28/h3-10,17H,11-16H2,1-2H3,(H,29,33).
What are the key properties of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide has a molecular weight of 480.51 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is sourced from PubChem (CID 42921497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).