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

C21H24F2N4O2 — CID 9433613

IUPAC(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)cc1)N1CCN(CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C21H24F2N4O2/c1-15(21(29)25-18-7-5-16(22)6-8-18)27-11-9-26(10-12-27)14-20(28)24-19-4-2-3-17(23)13-19/h2-8,13,15H,9-12,14H2,1H3,(H,24,28)(H,25,29)/t15-/m1/s1
InChIKeyQSDLQQRVGHOUMX-OAHLLOKOSA-N
MW402.45 g/mol
LogP2.55
Rot. Bonds6

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

(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide (PubChem CID 9433613) has the molecular formula C21H24F2N4O2 and a molecular weight of 402.45 g/mol. Its IUPAC name is (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
PubChem CID9433613
Molecular FormulaC21H24F2N4O2
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)cc1)N1CCN(CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C21H24F2N4O2/c1-15(21(29)25-18-7-5-16(22)6-8-18)27-11-9-26(10-12-27)14-20(28)24-19-4-2-3-17(23)13-19/h2-8,13,15H,9-12,14H2,1H3,(H,24,28)(H,25,29)/t15-/m1/s1
InChIKeyQSDLQQRVGHOUMX-OAHLLOKOSA-N
XLogP2.55
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
2-[4-[2-(3-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 55841889
2-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 60513249
(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 8774104
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 166605704
2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 60513111
(2S)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435301
(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30737874
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 30736100
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 55364731
(2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 11931772
(2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51626907

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide (CID 9433613) is (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide is C[C@H](C(=O)Nc1ccc(F)cc1)N1CCN(CC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide?
The InChIKey is QSDLQQRVGHOUMX-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24F2N4O2/c1-15(21(29)25-18-7-5-16(22)6-8-18)27-11-9-26(10-12-27)14-20(28)24-19-4-2-3-17(23)13-19/h2-8,13,15H,9-12,14H2,1H3,(H,24,28)(H,25,29)/t15-/m1/s1.
What are the key properties of (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide?
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide has a molecular weight of 402.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 9433613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).