3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide

C21H19N3O2 — CID 158719298

IUPAC3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(N)cc3)c2)cc1
InChIInChI=1S/C21H19N3O2/c1-14-5-9-18(10-6-14)23-20(25)15-3-2-4-16(13-15)21(26)24-19-11-7-17(22)8-12-19/h2-13H,22H2,1H3,(H,23,25)(H,24,26)
InChIKeyJYUQOLYRXAJDBM-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.08
Rot. Bonds4

About 3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide

3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 158719298) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID158719298
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(N)cc3)c2)cc1
InChIInChI=1S/C21H19N3O2/c1-14-5-9-18(10-6-14)23-20(25)15-3-2-4-16(13-15)21(26)24-19-11-7-17(22)8-12-19/h2-13H,22H2,1H3,(H,23,25)(H,24,26)
InChIKeyJYUQOLYRXAJDBM-UHFFFAOYSA-N
XLogP4.08
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
CID 84613744
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-(4-aminophenyl)benzamide;ethane;ethene
CID 144544387
N-(4-aminophenyl)-3-fluoro-5-methylbenzamide
CID 113265229
3-amino-N-(4-phenylphenyl)benzamide
CID 757806

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide (CID 158719298) is 3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide is Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(N)cc3)c2)cc1.
What is the InChIKey of 3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is JYUQOLYRXAJDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-5-9-18(10-6-14)23-20(25)15-3-2-4-16(13-15)21(26)24-19-11-7-17(22)8-12-19/h2-13H,22H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide?
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 158719298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).