2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide

C19H18N2O2 — CID 84580106

IUPAC2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
SMILESO=C(NC1CCc2c([nH]c3ccccc23)C1)c1ccccc1O
InChIInChI=1S/C19H18N2O2/c22-18-8-4-2-6-15(18)19(23)20-12-9-10-14-13-5-1-3-7-16(13)21-17(14)11-12/h1-8,12,21-22H,9-11H2,(H,20,23)
InChIKeyJVNFTYLECQVGEX-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.16
Rot. Bonds2

About 2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide

2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide (PubChem CID 84580106) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
PubChem CID84580106
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
SMILESO=C(NC1CCc2c([nH]c3ccccc23)C1)c1ccccc1O
InChIInChI=1S/C19H18N2O2/c22-18-8-4-2-6-15(18)19(23)20-12-9-10-14-13-5-1-3-7-16(13)21-17(14)11-12/h1-8,12,21-22H,9-11H2,(H,20,23)
InChIKeyJVNFTYLECQVGEX-UHFFFAOYSA-N
XLogP3.16
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide (CID 84580106) is 2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide is O=C(NC1CCc2c([nH]c3ccccc23)C1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide?
The InChIKey is JVNFTYLECQVGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-18-8-4-2-6-15(18)19(23)20-12-9-10-14-13-5-1-3-7-16(13)21-17(14)11-12/h1-8,12,21-22H,9-11H2,(H,20,23).
What are the key properties of 2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide?
2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide has a molecular weight of 306.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide is sourced from PubChem (CID 84580106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).