N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide

C20H19FN2O2 — CID 71829310

IUPACN-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1CCCc2c1[nH]c1ccc(F)cc21
InChIInChI=1S/C20H19FN2O2/c21-13-9-10-17-16(11-13)15-7-4-8-18(20(15)23-17)22-19(24)12-25-14-5-2-1-3-6-14/h1-3,5-6,9-11,18,23H,4,7-8,12H2,(H,22,24)
InChIKeySBIYSLZCLDDGIY-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.88
Rot. Bonds4

About N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide

N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide (PubChem CID 71829310) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide
PubChem CID71829310
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1CCCc2c1[nH]c1ccc(F)cc21
InChIInChI=1S/C20H19FN2O2/c21-13-9-10-17-16(11-13)15-7-4-8-18(20(15)23-17)22-19(24)12-25-14-5-2-1-3-6-14/h1-3,5-6,9-11,18,23H,4,7-8,12H2,(H,22,24)
InChIKeySBIYSLZCLDDGIY-UHFFFAOYSA-N
XLogP3.88
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
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 N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide?
The IUPAC name of N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide (CID 71829310) is N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)NC1CCCc2c1[nH]c1ccc(F)cc21.
What is the InChIKey of N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide?
The InChIKey is SBIYSLZCLDDGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-13-9-10-17-16(11-13)15-7-4-8-18(20(15)23-17)22-19(24)12-25-14-5-2-1-3-6-14/h1-3,5-6,9-11,18,23H,4,7-8,12H2,(H,22,24).
What are the key properties of N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide?
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide has a molecular weight of 338.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide is sourced from PubChem (CID 71829310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).