2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-phenylethyl)acetamide

C20H17ClFN3O3 — CID 7286837

IUPAC2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1ccn(-c2ccc(F)c(Cl)c2)c(=O)c1=O)NCCc1ccccc1
InChIInChI=1S/C20H17ClFN3O3/c21-16-12-15(6-7-17(16)22)25-11-10-24(19(27)20(25)28)13-18(26)23-9-8-14-4-2-1-3-5-14/h1-7,10-12H,8-9,13H2,(H,23,26)
InChIKeyDYZYBRWAHFUDIO-UHFFFAOYSA-N
MW401.83 g/mol
LogP2.15
Rot. Bonds6

About 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-phenylethyl)acetamide

2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 7286837) has the molecular formula C20H17ClFN3O3 and a molecular weight of 401.83 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID7286837
Molecular FormulaC20H17ClFN3O3
Molecular Weight401.83 g/mol
Exact Mass401.09
IUPAC Name2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1ccn(-c2ccc(F)c(Cl)c2)c(=O)c1=O)NCCc1ccccc1
InChIInChI=1S/C20H17ClFN3O3/c21-16-12-15(6-7-17(16)22)25-11-10-24(19(27)20(25)28)13-18(26)23-9-8-14-4-2-1-3-5-14/h1-7,10-12H,8-9,13H2,(H,23,26)
InChIKeyDYZYBRWAHFUDIO-UHFFFAOYSA-N
XLogP2.15
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-Chloro-3-Fluorophenyl)-N'-(1,2,2,6,6-Pentamethylpiperidin-4-Yl)ethanediamide
CID 46200212
(R)-1-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)urea
CID 9980155
N-(2-(3-((2S,5R)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10003548
N-(2-(3-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10456104
N-[5-Chloro-2-[(1E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-3-oxo-1-propen-1-YL]phenyl]-acetamide
CID 11743399
(E)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 2670221
2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 3349055
(2S)-2-{[(2-chlorophenyl)methyl][(4-fluorophenyl)carbamoyl]amino}-N-hydroxypropanamide
CID 23645834
N-[(1s,2s)-2-Amino-2,3-Dihydro-1h-Inden-1-Yl]-N'-(4-Chloro-3-Fluorophenyl)ethanediamide
CID 56951872
2-(4-(4-fluorophenyl)-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)-N-phenethylacetamide
CID 16017731
N-(3-chloro-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 237729

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-phenylethyl)acetamide (CID 7286837) is 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-phenylethyl)acetamide is O=C(Cn1ccn(-c2ccc(F)c(Cl)c2)c(=O)c1=O)NCCc1ccccc1.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is DYZYBRWAHFUDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3/c21-16-12-15(6-7-17(16)22)25-11-10-24(19(27)20(25)28)13-18(26)23-9-8-14-4-2-1-3-5-14/h1-7,10-12H,8-9,13H2,(H,23,26).
What are the key properties of 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 401.83 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7286837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).