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

C21H14ClN3O2 — CID 7186151

IUPAC4-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H14ClN3O2/c22-14-11-9-13(10-12-14)20(26)24-16-6-2-1-5-15(16)19-21(27)25-18-8-4-3-7-17(18)23-19/h1-12H,(H,24,26)(H,25,27)
InChIKeyQLHZSKPUKCTNCV-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.50
Rot. Bonds3

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

4-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide (PubChem CID 7186151) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
PubChem CID7186151
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC Name4-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H14ClN3O2/c22-14-11-9-13(10-12-14)20(26)24-16-6-2-1-5-15(16)19-21(27)25-18-8-4-3-7-17(18)23-19/h1-12H,(H,24,26)(H,25,27)
InChIKeyQLHZSKPUKCTNCV-UHFFFAOYSA-N
XLogP4.50
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide (CID 7186151) is 4-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide is O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide?
The InChIKey is QLHZSKPUKCTNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-14-11-9-13(10-12-14)20(26)24-16-6-2-1-5-15(16)19-21(27)25-18-8-4-3-7-17(18)23-19/h1-12H,(H,24,26)(H,25,27).
What are the key properties of 4-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide?
4-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide has a molecular weight of 375.82 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide is sourced from PubChem (CID 7186151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).