4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide

C20H18N4O4 — CID 22076446

IUPAC4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide
SMILESNC(=O)c1cc(Nc2cccc(O)c2)c(Nc2cccc(O)c2)cc1C(N)=O
InChIInChI=1S/C20H18N4O4/c21-19(27)15-9-17(23-11-3-1-5-13(25)7-11)18(10-16(15)20(22)28)24-12-4-2-6-14(26)8-12/h1-10,23-26H,(H2,21,27)(H2,22,28)
InChIKeyIKGFGKAMNCAYTK-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.78
Rot. Bonds6

About 4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide

4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide (PubChem CID 22076446) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide
PubChem CID22076446
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide
SMILESNC(=O)c1cc(Nc2cccc(O)c2)c(Nc2cccc(O)c2)cc1C(N)=O
InChIInChI=1S/C20H18N4O4/c21-19(27)15-9-17(23-11-3-1-5-13(25)7-11)18(10-16(15)20(22)28)24-12-4-2-6-14(26)8-12/h1-10,23-26H,(H2,21,27)(H2,22,28)
InChIKeyIKGFGKAMNCAYTK-UHFFFAOYSA-N
XLogP2.78
TPSA150.70 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.39
LogP ≤ 52.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-carbamoyl-4,5-bis(3-ethylanilino)benzoate
CID 22076471
4-(3-hydroxyanilino)pyridine-3-carboxylic acid
CID 115037604
2-(3-phenylanilino)benzamide
CID 44596232
3-(2-fluoroanilino)phenol
CID 82537350
2-amino-3-(3-carbamoylanilino)benzoic acid
CID 107809791
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136
2-hydroxy-5-[(3-hydroxyphenyl)sulfamoyl]benzamide
CID 130406151
3-amino-2-(3-fluoroanilino)benzamide
CID 112577784
2-amino-3-(3-chloroanilino)benzamide
CID 113332446
2-[4,5-dicarbamoyl-2-(2-carboxyanilino)anilino]benzoic acid
CID 22076419
4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide
CID 158839426
1-amino-3-(3-hydroxyphenyl)urea
CID 23273555

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide?
The IUPAC name of 4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide (CID 22076446) is 4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide.
What is the SMILES notation for 4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide?
The canonical SMILES for 4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide is NC(=O)c1cc(Nc2cccc(O)c2)c(Nc2cccc(O)c2)cc1C(N)=O.
What is the InChIKey of 4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide?
The InChIKey is IKGFGKAMNCAYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c21-19(27)15-9-17(23-11-3-1-5-13(25)7-11)18(10-16(15)20(22)28)24-12-4-2-6-14(26)8-12/h1-10,23-26H,(H2,21,27)(H2,22,28).
What are the key properties of 4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide?
4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide has a molecular weight of 378.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide is sourced from PubChem (CID 22076446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).