3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide

C22H17N3O — CID 2224328

IUPAC3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)c1
InChIInChI=1S/C22H17N3O/c1-15-6-4-8-17(12-15)22(26)24-18-9-5-7-16(13-18)21-14-23-19-10-2-3-11-20(19)25-21/h2-14H,1H3,(H,24,26)
InChIKeyZPBGUULVWBKHPF-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.86
Rot. Bonds3

About 3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide

3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide (PubChem CID 2224328) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide
PubChem CID2224328
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)c1
InChIInChI=1S/C22H17N3O/c1-15-6-4-8-17(12-15)22(26)24-18-9-5-7-16(13-18)21-14-23-19-10-2-3-11-20(19)25-21/h2-14H,1H3,(H,24,26)
InChIKeyZPBGUULVWBKHPF-UHFFFAOYSA-N
XLogP4.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2233095
N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride
CID 73427550
2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 27195301
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035
1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea
CID 1485415
4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide
CID 74763620
N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53010895
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
CID 47051399
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
3-fluoro-N-(3-quinolin-2-ylphenyl)benzamide
CID 46376278
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 780722

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide?
The IUPAC name of 3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide (CID 2224328) is 3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide.
What is the SMILES notation for 3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide?
The canonical SMILES for 3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide is Cc1cccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)c1.
What is the InChIKey of 3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide?
The InChIKey is ZPBGUULVWBKHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-15-6-4-8-17(12-15)22(26)24-18-9-5-7-16(13-18)21-14-23-19-10-2-3-11-20(19)25-21/h2-14H,1H3,(H,24,26).
What are the key properties of 3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide?
3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide has a molecular weight of 339.40 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide is sourced from PubChem (CID 2224328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).