5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide

C15H12N2O3 — CID 164610325

IUPAC5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2cc(O)c(O)cc2[nH]1
InChIInChI=1S/C15H12N2O3/c18-13-7-9-6-12(17-11(9)8-14(13)19)15(20)16-10-4-2-1-3-5-10/h1-8,17-19H,(H,16,20)
InChIKeyBPDAZDDZVYEWCA-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.83
Rot. Bonds2

About 5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide

5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide (PubChem CID 164610325) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide
PubChem CID164610325
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2cc(O)c(O)cc2[nH]1
InChIInChI=1S/C15H12N2O3/c18-13-7-9-6-12(17-11(9)8-14(13)19)15(20)16-10-4-2-1-3-5-10/h1-8,17-19H,(H,16,20)
InChIKeyBPDAZDDZVYEWCA-UHFFFAOYSA-N
XLogP2.83
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid
CID 43823296
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
methyl 5,6-dihydroxy-1H-indole-2-carboxylate
CID 22162548
N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 26699443
sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
7-methoxy-N-phenyl-1H-indole-2-carboxamide
CID 110856487
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate
CID 15224337
5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 126493143
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585
N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide (CID 164610325) is 5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide is O=C(Nc1ccccc1)c1cc2cc(O)c(O)cc2[nH]1.
What is the InChIKey of 5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide?
The InChIKey is BPDAZDDZVYEWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-13-7-9-6-12(17-11(9)8-14(13)19)15(20)16-10-4-2-1-3-5-10/h1-8,17-19H,(H,16,20).
What are the key properties of 5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide?
5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide has a molecular weight of 268.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 164610325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).