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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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).