ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate

C15H17FN2O2 — CID 113097176

IUPACethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate
SMILESCCOC(=O)NC1CCc2[nH]c3cc(F)ccc3c2C1
InChIInChI=1S/C15H17FN2O2/c1-2-20-15(19)17-10-4-6-13-12(8-10)11-5-3-9(16)7-14(11)18-13/h3,5,7,10,18H,2,4,6,8H2,1H3,(H,17,19)
InChIKeyHWHWVKARXPRQLJ-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.91
Rot. Bonds2

About ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate

ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate (PubChem CID 113097176) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate
PubChem CID113097176
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Nameethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate
SMILESCCOC(=O)NC1CCc2[nH]c3cc(F)ccc3c2C1
InChIInChI=1S/C15H17FN2O2/c1-2-20-15(19)17-10-4-6-13-12(8-10)11-5-3-9(16)7-14(11)18-13/h3,5,7,10,18H,2,4,6,8H2,1H3,(H,17,19)
InChIKeyHWHWVKARXPRQLJ-UHFFFAOYSA-N
XLogP2.91
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.91
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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Related Compounds

4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097133
N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 113097150
N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide
CID 113097125
1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096809
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2,2-dimethylpropanamide
CID 113096752
1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
CID 84626995
benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
CID 129322953
1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096803
N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097267
7-fluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine
CID 84622882
N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113097212
6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 65332860

Frequently Asked Questions

What is the IUPAC name of ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate?
The IUPAC name of ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate (CID 113097176) is ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate.
What is the SMILES notation for ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate?
The canonical SMILES for ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate is CCOC(=O)NC1CCc2[nH]c3cc(F)ccc3c2C1.
What is the InChIKey of ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate?
The InChIKey is HWHWVKARXPRQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-2-20-15(19)17-10-4-6-13-12(8-10)11-5-3-9(16)7-14(11)18-13/h3,5,7,10,18H,2,4,6,8H2,1H3,(H,17,19).
What are the key properties of ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate?
ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate has a molecular weight of 276.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate is sourced from PubChem (CID 113097176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).