N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide

C23H17FN4O2 — CID 142723865

IUPACN-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide
SMILESO=C(CF)Nc1ccccc1-c1cccc(NC(=O)c2cnc3ccccc3n2)c1
InChIInChI=1S/C23H17FN4O2/c24-13-22(29)28-18-9-2-1-8-17(18)15-6-5-7-16(12-15)26-23(30)21-14-25-19-10-3-4-11-20(19)27-21/h1-12,14H,13H2,(H,26,30)(H,28,29)
InChIKeyNIULHXAYJVQCNY-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.46
Rot. Bonds5

About N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide

N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide (PubChem CID 142723865) has the molecular formula C23H17FN4O2 and a molecular weight of 400.41 g/mol. Its IUPAC name is N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide
PubChem CID142723865
Molecular FormulaC23H17FN4O2
Molecular Weight400.41 g/mol
Exact Mass400.13
IUPAC NameN-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide
SMILESO=C(CF)Nc1ccccc1-c1cccc(NC(=O)c2cnc3ccccc3n2)c1
InChIInChI=1S/C23H17FN4O2/c24-13-22(29)28-18-9-2-1-8-17(18)15-6-5-7-16(12-15)26-23(30)21-14-25-19-10-3-4-11-20(19)27-21/h1-12,14H,13H2,(H,26,30)(H,28,29)
InChIKeyNIULHXAYJVQCNY-UHFFFAOYSA-N
XLogP4.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide
CID 142724092
[2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate
CID 30031920
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoxaline-2-carboxamide
CID 122285827
2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide
CID 142724075
N-(2-bromophenyl)quinoxaline-2-carboxamide
CID 17429565
N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide
CID 55807023
N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride
CID 73427550
N-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide
CID 9456802
N-(4-ethoxyphenyl)quinoxaline-2-carboxamide
CID 2738538
N-(2-cyano-3-fluorophenyl)quinoxaline-2-carboxamide
CID 95763379
4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2233095
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide
CID 131912464

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide (CID 142723865) is N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide is O=C(CF)Nc1ccccc1-c1cccc(NC(=O)c2cnc3ccccc3n2)c1.
What is the InChIKey of N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide?
The InChIKey is NIULHXAYJVQCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O2/c24-13-22(29)28-18-9-2-1-8-17(18)15-6-5-7-16(12-15)26-23(30)21-14-25-19-10-3-4-11-20(19)27-21/h1-12,14H,13H2,(H,26,30)(H,28,29).
What are the key properties of N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide?
N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide has a molecular weight of 400.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 142723865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).