4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide

C26H22N4O4 — CID 18986447

IUPAC4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(N)cc4)c(O)c3)cc2O)cc1
InChIInChI=1S/C26H22N4O4/c27-19-7-1-15(2-8-19)25(33)29-21-11-5-17(13-23(21)31)18-6-12-22(24(32)14-18)30-26(34)16-3-9-20(28)10-4-16/h1-14,31-32H,27-28H2,(H,29,33)(H,30,34)
InChIKeyVXJAHVGSNPUZQL-UHFFFAOYSA-N
MW454.49 g/mol
LogP4.43
Rot. Bonds5

About 4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide

4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide (PubChem CID 18986447) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is 4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide
PubChem CID18986447
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC Name4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(N)cc4)c(O)c3)cc2O)cc1
InChIInChI=1S/C26H22N4O4/c27-19-7-1-15(2-8-19)25(33)29-21-11-5-17(13-23(21)31)18-6-12-22(24(32)14-18)30-26(34)16-3-9-20(28)10-4-16/h1-14,31-32H,27-28H2,(H,29,33)(H,30,34)
InChIKeyVXJAHVGSNPUZQL-UHFFFAOYSA-N
XLogP4.43
TPSA150.70 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.49
LogP ≤ 54.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide
CID 134359397
N-(4-amino-2-hydroxyphenyl)-4-chlorobenzamide
CID 3264738
2-amino-5-(4-amino-3-hydroxyphenyl)phenol;N-[4-(4-amino-3-hydroxyphenyl)-2-hydroxyphenyl]-4-[3,5,7-tris[4-[[4-(4-amino-3-hydroxyphenyl)-2-hydroxyphenyl]carbamoyl]phenyl]-1-adamantyl]benzamide;4-(3,4-diaminophenyl)benzene-1,2-diamine
CID 161238438
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide
CID 171363826
N-[2-hydroxy-4-(6-hydroxynaphthalen-2-yl)phenyl]benzamide
CID 24949874
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43711286
4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide
CID 150367219
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid
CID 155204519

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide?
The IUPAC name of 4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide (CID 18986447) is 4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide.
What is the SMILES notation for 4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide?
The canonical SMILES for 4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide is Nc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(N)cc4)c(O)c3)cc2O)cc1.
What is the InChIKey of 4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide?
The InChIKey is VXJAHVGSNPUZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4/c27-19-7-1-15(2-8-19)25(33)29-21-11-5-17(13-23(21)31)18-6-12-22(24(32)14-18)30-26(34)16-3-9-20(28)10-4-16/h1-14,31-32H,27-28H2,(H,29,33)(H,30,34).
What are the key properties of 4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide?
4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide has a molecular weight of 454.49 g/mol, XLogP of 4.43, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide is sourced from PubChem (CID 18986447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).