4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide

C22H13F2N3O2 — CID 89443461

IUPAC4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(F)c(C(=O)c2ccc3nccnc3c2)c1)c1ccc(F)cc1
InChIInChI=1S/C22H13F2N3O2/c23-15-4-1-13(2-5-15)22(29)27-16-6-7-18(24)17(12-16)21(28)14-3-8-19-20(11-14)26-10-9-25-19/h1-12H,(H,27,29)
InChIKeyDCMDEOMRXXQMDS-UHFFFAOYSA-N
MW389.36 g/mol
LogP4.39
Rot. Bonds4

About 4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide

4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide (PubChem CID 89443461) has the molecular formula C22H13F2N3O2 and a molecular weight of 389.36 g/mol. Its IUPAC name is 4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide
PubChem CID89443461
Molecular FormulaC22H13F2N3O2
Molecular Weight389.36 g/mol
Exact Mass389.10
IUPAC Name4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(F)c(C(=O)c2ccc3nccnc3c2)c1)c1ccc(F)cc1
InChIInChI=1S/C22H13F2N3O2/c23-15-4-1-13(2-5-15)22(29)27-16-6-7-18(24)17(12-16)21(28)14-3-8-19-20(11-14)26-10-9-25-19/h1-12H,(H,27,29)
InChIKeyDCMDEOMRXXQMDS-UHFFFAOYSA-N
XLogP4.39
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-3-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]urea
CID 71533206
4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443751
(2-fluoro-5-hydroxyphenyl)-quinoxalin-6-ylmethanone
CID 89478348
1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75202979
N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 172754016
3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide
CID 75204110
3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443919
4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76939474
1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea
CID 89443349
1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203984
N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide
CID 60730289
2,3-difluoro-N-quinoxalin-6-ylpyridine-4-carboxamide
CID 105380445

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide (CID 89443461) is 4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide is O=C(Nc1ccc(F)c(C(=O)c2ccc3nccnc3c2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide?
The InChIKey is DCMDEOMRXXQMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F2N3O2/c23-15-4-1-13(2-5-15)22(29)27-16-6-7-18(24)17(12-16)21(28)14-3-8-19-20(11-14)26-10-9-25-19/h1-12H,(H,27,29).
What are the key properties of 4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide?
4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide has a molecular weight of 389.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide is sourced from PubChem (CID 89443461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).