N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide

C25H14ClF2N5O2 — CID 89444964

IUPACN-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)c2ccc3ncc(-n4ccnc4)nc3c2)c1F)c1ccc(F)cc1
InChIInChI=1S/C25H14ClF2N5O2/c26-17-6-8-19(32-25(35)14-1-4-16(27)5-2-14)23(28)22(17)24(34)15-3-7-18-20(11-15)31-21(12-30-18)33-10-9-29-13-33/h1-13H,(H,32,35)
InChIKeyNXSMHOZAWNMHDQ-UHFFFAOYSA-N
MW489.87 g/mol
LogP5.23
Rot. Bonds5

About N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide

N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide (PubChem CID 89444964) has the molecular formula C25H14ClF2N5O2 and a molecular weight of 489.87 g/mol. Its IUPAC name is N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide
PubChem CID89444964
Molecular FormulaC25H14ClF2N5O2
Molecular Weight489.87 g/mol
Exact Mass489.08
IUPAC NameN-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)c2ccc3ncc(-n4ccnc4)nc3c2)c1F)c1ccc(F)cc1
InChIInChI=1S/C25H14ClF2N5O2/c26-17-6-8-19(32-25(35)14-1-4-16(27)5-2-14)23(28)22(17)24(34)15-3-7-18-20(11-15)31-21(12-30-18)33-10-9-29-13-33/h1-13H,(H,32,35)
InChIKeyNXSMHOZAWNMHDQ-UHFFFAOYSA-N
XLogP5.23
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.87
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide
CID 89445006
1-(3-chloro-4-fluorophenyl)-3-[3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]urea
CID 89445016
N-[2-chloro-4,5-difluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
CID 71506587
1-[3,4-difluoro-5-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
CID 89445176
4-chloro-3-fluoro-N-[4-fluoro-3-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]benzamide
CID 71680179
N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide
CID 89443323
N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
CID 89444097
N-[4-chloro-2-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
CID 71537325
1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
CID 89443389
4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121073828
N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 35374886
4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443751

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide (CID 89444964) is N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide is O=C(Nc1ccc(Cl)c(C(=O)c2ccc3ncc(-n4ccnc4)nc3c2)c1F)c1ccc(F)cc1.
What is the InChIKey of N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide?
The InChIKey is NXSMHOZAWNMHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14ClF2N5O2/c26-17-6-8-19(32-25(35)14-1-4-16(27)5-2-14)23(28)22(17)24(34)15-3-7-18-20(11-15)31-21(12-30-18)33-10-9-29-13-33/h1-13H,(H,32,35).
What are the key properties of N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide?
N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide has a molecular weight of 489.87 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 89444964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).