N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C18H15F2N3O2 — CID 26371826

IUPACN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESC[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3O2/c1-11(13-7-6-12(19)8-14(13)20)22-17(24)10-23-16-5-3-2-4-15(16)21-9-18(23)25/h2-9,11H,10H2,1H3,(H,22,24)/t11-/m0/s1
InChIKeyUEGHPWWPXCANQH-NSHDSACASA-N
MW343.33 g/mol
LogP2.55
Rot. Bonds4

About N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 26371826) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID26371826
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESC[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3O2/c1-11(13-7-6-12(19)8-14(13)20)22-17(24)10-23-16-5-3-2-4-15(16)21-9-18(23)25/h2-9,11H,10H2,1H3,(H,22,24)/t11-/m0/s1
InChIKeyUEGHPWWPXCANQH-NSHDSACASA-N
XLogP2.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 16548369
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 55890335
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 41077979
N-(2,6-difluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023290
2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide
CID 31362779
N-[(2R)-1-methoxypropan-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2509253
methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate
CID 78812383
N-(2-fluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023095
2-(2-oxoquinoxalin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8023093
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 41256051

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 26371826) is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide is C[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccc(F)cc1F.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is UEGHPWWPXCANQH-NSHDSACASA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-11(13-7-6-12(19)8-14(13)20)22-17(24)10-23-16-5-3-2-4-15(16)21-9-18(23)25/h2-9,11H,10H2,1H3,(H,22,24)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 343.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 26371826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).