3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide

C21H24F2N4O2 — CID 3242417

IUPAC3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CN1CCN(CCC(=O)Nc2ccccc2F)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H24F2N4O2/c22-16-5-7-17(8-6-16)24-21(29)15-27-13-11-26(12-14-27)10-9-20(28)25-19-4-2-1-3-18(19)23/h1-8H,9-15H2,(H,24,29)(H,25,28)
InChIKeyIBWRQGYAOFTUDU-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.55
Rot. Bonds7

About 3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide

3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 3242417) has the molecular formula C21H24F2N4O2 and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
PubChem CID3242417
Molecular FormulaC21H24F2N4O2
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CN1CCN(CCC(=O)Nc2ccccc2F)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H24F2N4O2/c22-16-5-7-17(8-6-16)24-21(29)15-27-13-11-26(12-14-27)10-9-20(28)25-19-4-2-1-3-18(19)23/h1-8H,9-15H2,(H,24,29)(H,25,28)
InChIKeyIBWRQGYAOFTUDU-UHFFFAOYSA-N
XLogP2.55
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethanaminium, N,N-dimethyl-2-oxo-N-(2-oxo-2-(phenylamino)ethyl)-2-(phenylamino)-, chloride (1:1)
CID 13966
2-(3-Oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-phenylacetamide
CID 2829724
N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 649412
N-Phenyl-1-piperidineacetamide
CID 78402
2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278179
N,N'-bis(2-fluorophenyl)propanediamide
CID 2388902
Ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate
CID 719532
N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 2900552
Ethyl 4-(2-((4-fluorophenyl)amino)-2-oxoethyl)piperazine-1-carboxylate
CID 931206
2-(4-benzyl-1-piperazinyl)-N-phenylacetamide
CID 934745
2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenyltetrahydro-1(2H)-pyrazinecarboxamide
CID 2812685
N,N'-bis(4-fluorophenyl)propanediamide
CID 478246

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide (CID 3242417) is 3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide is O=C(CN1CCN(CCC(=O)Nc2ccccc2F)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is IBWRQGYAOFTUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O2/c22-16-5-7-17(8-6-16)24-21(29)15-27-13-11-26(12-14-27)10-9-20(28)25-19-4-2-1-3-18(19)23/h1-8H,9-15H2,(H,24,29)(H,25,28).
What are the key properties of 3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 402.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 3242417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).