1-N,3-N-bis(3-hydroxyphenyl)benzene-1,3-dicarboxamide

C20H16N2O4 — CID 824040

IUPAC1-N,3-N-bis(3-hydroxyphenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1cccc(O)c1)c1cccc(C(=O)Nc2cccc(O)c2)c1
InChIInChI=1S/C20H16N2O4/c23-17-8-2-6-15(11-17)21-19(25)13-4-1-5-14(10-13)20(26)22-16-7-3-9-18(24)12-16/h1-12,23-24H,(H,21,25)(H,22,26)
InChIKeyYPNSUNPIJSRQMY-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.60
Rot. Bonds4

About 1-N,3-N-bis(3-hydroxyphenyl)benzene-1,3-dicarboxamide

1-N,3-N-bis(3-hydroxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 824040) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-N,3-N-bis(3-hydroxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(3-hydroxyphenyl)benzene-1,3-dicarboxamide
PubChem CID824040
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name1-N,3-N-bis(3-hydroxyphenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1cccc(O)c1)c1cccc(C(=O)Nc2cccc(O)c2)c1
InChIInChI=1S/C20H16N2O4/c23-17-8-2-6-15(11-17)21-19(25)13-4-1-5-14(10-13)20(26)22-16-7-3-9-18(24)12-16/h1-12,23-24H,(H,21,25)(H,22,26)
InChIKeyYPNSUNPIJSRQMY-UHFFFAOYSA-N
XLogP3.60
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(3-hydroxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(3-hydroxyphenyl)benzene-1,3-dicarboxamide (CID 824040) is 1-N,3-N-bis(3-hydroxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(3-hydroxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(3-hydroxyphenyl)benzene-1,3-dicarboxamide is O=C(Nc1cccc(O)c1)c1cccc(C(=O)Nc2cccc(O)c2)c1.
What is the InChIKey of 1-N,3-N-bis(3-hydroxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is YPNSUNPIJSRQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-17-8-2-6-15(11-17)21-19(25)13-4-1-5-14(10-13)20(26)22-16-7-3-9-18(24)12-16/h1-12,23-24H,(H,21,25)(H,22,26).
What are the key properties of 1-N,3-N-bis(3-hydroxyphenyl)benzene-1,3-dicarboxamide?
1-N,3-N-bis(3-hydroxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(3-hydroxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 824040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).