N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide

C21H13ClFN3O2 — CID 71901581

IUPACN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O)c1ccc(F)cc1
InChIInChI=1S/C21H13ClFN3O2/c22-13-7-10-16(25-20(27)12-5-8-14(23)9-6-12)15(11-13)19-21(28)26-18-4-2-1-3-17(18)24-19/h1-11H,(H,25,27)(H,26,28)
InChIKeyVAKGWBAQOATORA-UHFFFAOYSA-N
MW393.81 g/mol
LogP4.63
Rot. Bonds3

About N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide

N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide (PubChem CID 71901581) has the molecular formula C21H13ClFN3O2 and a molecular weight of 393.81 g/mol. Its IUPAC name is N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide
PubChem CID71901581
Molecular FormulaC21H13ClFN3O2
Molecular Weight393.81 g/mol
Exact Mass393.07
IUPAC NameN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O)c1ccc(F)cc1
InChIInChI=1S/C21H13ClFN3O2/c22-13-7-10-16(25-20(27)12-5-8-14(23)9-6-12)15(11-13)19-21(28)26-18-4-2-1-3-17(18)24-19/h1-11H,(H,25,27)(H,26,28)
InChIKeyVAKGWBAQOATORA-UHFFFAOYSA-N
XLogP4.63
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide
CID 100654599
4-methoxy-N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 7187725
4-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 5019834
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide
CID 3163417
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
CID 7187743
3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
CID 137302524
2,4-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 100766377
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
2-(4-chlorophenoxy)-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 7187733
N-(1H-benzimidazol-2-yl)-5-chloro-2-fluorobenzamide
CID 51229012
N-[2-methyl-6-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 27187078

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide (CID 71901581) is N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide is O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O)c1ccc(F)cc1.
What is the InChIKey of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide?
The InChIKey is VAKGWBAQOATORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN3O2/c22-13-7-10-16(25-20(27)12-5-8-14(23)9-6-12)15(11-13)19-21(28)26-18-4-2-1-3-17(18)24-19/h1-11H,(H,25,27)(H,26,28).
What are the key properties of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide?
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide has a molecular weight of 393.81 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 71901581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).