1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide

C23H18N2O3 — CID 87853008

IUPAC1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide
SMILESNC(=O)c1ccc2c(cc(O)c3ccccc32)c1C(=O)NCc1ccccc1
InChIInChI=1S/C23H18N2O3/c24-22(27)18-11-10-16-15-8-4-5-9-17(15)20(26)12-19(16)21(18)23(28)25-13-14-6-2-1-3-7-14/h1-12,26H,13H2,(H2,24,27)(H,25,28)
InChIKeyOYLUSZNPRVIWEH-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.73
Rot. Bonds4

About 1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide

1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide (PubChem CID 87853008) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide
PubChem CID87853008
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide
SMILESNC(=O)c1ccc2c(cc(O)c3ccccc32)c1C(=O)NCc1ccccc1
InChIInChI=1S/C23H18N2O3/c24-22(27)18-11-10-16-15-8-4-5-9-17(15)20(26)12-19(16)21(18)23(28)25-13-14-6-2-1-3-7-14/h1-12,26H,13H2,(H2,24,27)(H,25,28)
InChIKeyOYLUSZNPRVIWEH-UHFFFAOYSA-N
XLogP3.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide (CID 87853008) is 1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide is NC(=O)c1ccc2c(cc(O)c3ccccc32)c1C(=O)NCc1ccccc1.
What is the InChIKey of 1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide?
The InChIKey is OYLUSZNPRVIWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c24-22(27)18-11-10-16-15-8-4-5-9-17(15)20(26)12-19(16)21(18)23(28)25-13-14-6-2-1-3-7-14/h1-12,26H,13H2,(H2,24,27)(H,25,28).
What are the key properties of 1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide?
1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide is sourced from PubChem (CID 87853008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).