3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide

C25H22N4O — CID 102457154

IUPAC3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide
SMILESNc1cc(N)cc(C(=O)Nc2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C25H22N4O/c26-19-15-18(16-20(27)17-19)25(30)28-21-11-13-24(14-12-21)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-17H,26-27H2,(H,28,30)
InChIKeyXJFOQCHOGSJXBN-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.57
Rot. Bonds5

About 3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide

3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide (PubChem CID 102457154) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide.

Molecular Properties

Compound Name3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide
PubChem CID102457154
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide
SMILESNc1cc(N)cc(C(=O)Nc2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C25H22N4O/c26-19-15-18(16-20(27)17-19)25(30)28-21-11-13-24(14-12-21)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-17H,26-27H2,(H,28,30)
InChIKeyXJFOQCHOGSJXBN-UHFFFAOYSA-N
XLogP5.57
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide
CID 122397801
3,5-diamino-N-(4-ethynylphenyl)benzamide
CID 59572021
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
3,5-dichloro-N-[4-(N-methylanilino)phenyl]benzamide
CID 22886497
3,5-diamino-N-(3-iodophenyl)benzamide
CID 61095528
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
N-(4-aminophenyl)benzamide;ethane;ethene
CID 144544387
3,5-diamino-N-(3,5-difluorophenyl)benzamide
CID 61091904
N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide
CID 918563
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide
CID 123571630
3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17230299

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide?
The IUPAC name of 3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide (CID 102457154) is 3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide.
What is the SMILES notation for 3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide?
The canonical SMILES for 3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide is Nc1cc(N)cc(C(=O)Nc2ccc(N(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of 3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide?
The InChIKey is XJFOQCHOGSJXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c26-19-15-18(16-20(27)17-19)25(30)28-21-11-13-24(14-12-21)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-17H,26-27H2,(H,28,30).
What are the key properties of 3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide?
3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 5.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide is sourced from PubChem (CID 102457154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).