N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide

C29H23N3O — CID 23829183

IUPACN-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)cc1C
InChIInChI=1S/C29H23N3O/c1-19-12-17-24(18-20(19)2)30-29(33)23-15-13-22(14-16-23)28-27(21-8-4-3-5-9-21)31-25-10-6-7-11-26(25)32-28/h3-18H,1-2H3,(H,30,33)
InChIKeySDXGMQMYORDKBC-UHFFFAOYSA-N
MW429.52 g/mol
LogP6.83
Rot. Bonds4

About N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide

N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide (PubChem CID 23829183) has the molecular formula C29H23N3O and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide
PubChem CID23829183
Molecular FormulaC29H23N3O
Molecular Weight429.52 g/mol
Exact Mass429.18
IUPAC NameN-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)cc1C
InChIInChI=1S/C29H23N3O/c1-19-12-17-24(18-20(19)2)30-29(33)23-15-13-22(14-16-23)28-27(21-8-4-3-5-9-21)31-25-10-6-7-11-26(25)32-28/h3-18H,1-2H3,(H,30,33)
InChIKeySDXGMQMYORDKBC-UHFFFAOYSA-N
XLogP6.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 4944335
3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747881
N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386476
N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16817911
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928
2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
CID 2990559
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide (CID 23829183) is N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide is Cc1ccc(NC(=O)c2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide?
The InChIKey is SDXGMQMYORDKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O/c1-19-12-17-24(18-20(19)2)30-29(33)23-15-13-22(14-16-23)28-27(21-8-4-3-5-9-21)31-25-10-6-7-11-26(25)32-28/h3-18H,1-2H3,(H,30,33).
What are the key properties of N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide?
N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide has a molecular weight of 429.52 g/mol, XLogP of 6.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide is sourced from PubChem (CID 23829183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).