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

C20H19FN2O2 — CID 67206078

IUPACbenzyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate
SMILESO=C(NC1CCc2[nH]c3ccc(F)cc3c2C1)OCc1ccccc1
InChIInChI=1S/C20H19FN2O2/c21-14-6-8-18-16(10-14)17-11-15(7-9-19(17)23-18)22-20(24)25-12-13-4-2-1-3-5-13/h1-6,8,10,15,23H,7,9,11-12H2,(H,22,24)
InChIKeySSOLTIBLFSTGMY-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.09
Rot. Bonds3

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

benzyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate (PubChem CID 67206078) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is benzyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate
PubChem CID67206078
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Namebenzyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate
SMILESO=C(NC1CCc2[nH]c3ccc(F)cc3c2C1)OCc1ccccc1
InChIInChI=1S/C20H19FN2O2/c21-14-6-8-18-16(10-14)17-11-15(7-9-19(17)23-18)22-20(24)25-12-13-4-2-1-3-5-13/h1-6,8,10,15,23H,7,9,11-12H2,(H,22,24)
InChIKeySSOLTIBLFSTGMY-UHFFFAOYSA-N
XLogP4.09
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.09
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 benzyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate?
The IUPAC name of benzyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate (CID 67206078) is benzyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate.
What is the SMILES notation for benzyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate?
The canonical SMILES for benzyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate is O=C(NC1CCc2[nH]c3ccc(F)cc3c2C1)OCc1ccccc1.
What is the InChIKey of benzyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate?
The InChIKey is SSOLTIBLFSTGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-14-6-8-18-16(10-14)17-11-15(7-9-19(17)23-18)22-20(24)25-12-13-4-2-1-3-5-13/h1-6,8,10,15,23H,7,9,11-12H2,(H,22,24).
What are the key properties of benzyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate?
benzyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate has a molecular weight of 338.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate is sourced from PubChem (CID 67206078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).