3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide

C24H17F2N3O4 — CID 89443473

IUPAC3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)c2ccc3ncc(OCCO)nc3c2)c1F)c1cccc(F)c1
InChIInChI=1S/C24H17F2N3O4/c25-16-4-1-3-15(11-16)24(32)29-19-6-2-5-17(22(19)26)23(31)14-7-8-18-20(12-14)28-21(13-27-18)33-10-9-30/h1-8,11-13,30H,9-10H2,(H,29,32)
InChIKeySNRXOQHIMYVWKN-UHFFFAOYSA-N
MW449.41 g/mol
LogP3.76
Rot. Bonds7

About 3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide

3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide (PubChem CID 89443473) has the molecular formula C24H17F2N3O4 and a molecular weight of 449.41 g/mol. Its IUPAC name is 3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide
PubChem CID89443473
Molecular FormulaC24H17F2N3O4
Molecular Weight449.41 g/mol
Exact Mass449.12
IUPAC Name3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)c2ccc3ncc(OCCO)nc3c2)c1F)c1cccc(F)c1
InChIInChI=1S/C24H17F2N3O4/c25-16-4-1-3-15(11-16)24(32)29-19-6-2-5-17(22(19)26)23(31)14-7-8-18-20(12-14)28-21(13-27-18)33-10-9-30/h1-8,11-13,30H,9-10H2,(H,29,32)
InChIKeySNRXOQHIMYVWKN-UHFFFAOYSA-N
XLogP3.76
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide
CID 89443323
3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443756
1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea
CID 89443748
N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide
CID 90080128
3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide
CID 151533168
3,4-difluoro-N-[2-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443742
N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide
CID 89445075
N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
CID 89444097
3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide
CID 90134664
1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
CID 89443389
N-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
CID 71534785
3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide
CID 90135466

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide (CID 89443473) is 3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide is O=C(Nc1cccc(C(=O)c2ccc3ncc(OCCO)nc3c2)c1F)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide?
The InChIKey is SNRXOQHIMYVWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O4/c25-16-4-1-3-15(11-16)24(32)29-19-6-2-5-17(22(19)26)23(31)14-7-8-18-20(12-14)28-21(13-27-18)33-10-9-30/h1-8,11-13,30H,9-10H2,(H,29,32).
What are the key properties of 3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide?
3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide has a molecular weight of 449.41 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide is sourced from PubChem (CID 89443473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).