N-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide

C16H13F2N3O2 — CID 29101500

IUPACN-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
SMILESO=C(C[C@H]1Nc2ccccc2NC1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H13F2N3O2/c17-10-6-5-9(7-11(10)18)19-15(22)8-14-16(23)21-13-4-2-1-3-12(13)20-14/h1-7,14,20H,8H2,(H,19,22)(H,21,23)/t14-/m1/s1
InChIKeyQPTJSDYRVOCTAD-CQSZACIVSA-N
MW317.30 g/mol
LogP2.73
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide

N-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide (PubChem CID 29101500) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
PubChem CID29101500
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
SMILESO=C(C[C@H]1Nc2ccccc2NC1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H13F2N3O2/c17-10-6-5-9(7-11(10)18)19-15(22)8-14-16(23)21-13-4-2-1-3-12(13)20-14/h1-7,14,20H,8H2,(H,19,22)(H,21,23)/t14-/m1/s1
InChIKeyQPTJSDYRVOCTAD-CQSZACIVSA-N
XLogP2.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide
CID 1183778
N-(1,3-benzodioxol-5-yl)-2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 729929
[3-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl] acetate
CID 692028
N-(2,4-dimethylphenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 702403
N-cyclopropyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 71668687
N-(5-methyl-1,2-oxazol-3-yl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 15999852
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide
CID 776317
2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide
CID 776316
N-(2-cyanophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 681566
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 90489229
N-benzyl-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 795021
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 718022

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide (CID 29101500) is N-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide is O=C(C[C@H]1Nc2ccccc2NC1=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide?
The InChIKey is QPTJSDYRVOCTAD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c17-10-6-5-9(7-11(10)18)19-15(22)8-14-16(23)21-13-4-2-1-3-12(13)20-14/h1-7,14,20H,8H2,(H,19,22)(H,21,23)/t14-/m1/s1.
What are the key properties of N-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide?
N-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide has a molecular weight of 317.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide is sourced from PubChem (CID 29101500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).