4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide

C24H14ClF2N5O2 — CID 71680179

IUPAC4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide
SMILESO=C(Nc1ccc(F)c(Oc2ccc3ncc(-n4ccnc4)nc3c2)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C24H14ClF2N5O2/c25-17-4-1-14(9-19(17)27)24(33)30-15-2-5-18(26)22(10-15)34-16-3-6-20-21(11-16)31-23(12-29-20)32-8-7-28-13-32/h1-13H,(H,30,33)
InChIKeyFLBSNIBXKGITTO-UHFFFAOYSA-N
MW477.86 g/mol
LogP5.79
Rot. Bonds5

About 4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide

4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide (PubChem CID 71680179) has the molecular formula C24H14ClF2N5O2 and a molecular weight of 477.86 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide
PubChem CID71680179
Molecular FormulaC24H14ClF2N5O2
Molecular Weight477.86 g/mol
Exact Mass477.08
IUPAC Name4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide
SMILESO=C(Nc1ccc(F)c(Oc2ccc3ncc(-n4ccnc4)nc3c2)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C24H14ClF2N5O2/c25-17-4-1-14(9-19(17)27)24(33)30-15-2-5-18(26)22(10-15)34-16-3-6-20-21(11-16)31-23(12-29-20)32-8-7-28-13-32/h1-13H,(H,30,33)
InChIKeyFLBSNIBXKGITTO-UHFFFAOYSA-N
XLogP5.79
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.86
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]urea
CID 89445016
N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide
CID 89444964
4-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311866
4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443057
4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89445010
1-[3,4-difluoro-5-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
CID 89445176
1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311934
N-[2-chloro-4,5-difluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
CID 71506587
3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide
CID 166387467
3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122306150
2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311868
1-(3-chlorophenyl)-3-[3,4-difluoro-5-(3-pyrrolidin-1-ylquinoxalin-6-yl)oxyphenyl]urea
CID 71679172

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide (CID 71680179) is 4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide is O=C(Nc1ccc(F)c(Oc2ccc3ncc(-n4ccnc4)nc3c2)c1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide?
The InChIKey is FLBSNIBXKGITTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClF2N5O2/c25-17-4-1-14(9-19(17)27)24(33)30-15-2-5-18(26)22(10-15)34-16-3-6-20-21(11-16)31-23(12-29-20)32-8-7-28-13-32/h1-13H,(H,30,33).
What are the key properties of 4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide?
4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide has a molecular weight of 477.86 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide is sourced from PubChem (CID 71680179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).