phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate

C17H15FN2O2 — CID 69217510

IUPACphenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)Oc1ccccc1
InChIInChI=1S/C17H15FN2O2/c18-13-6-7-16-15(10-13)12(11-20-16)8-9-19-17(21)22-14-4-2-1-3-5-14/h1-7,10-11,20H,8-9H2,(H,19,21)
InChIKeyJVDXKYXGZQTXNM-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.64
Rot. Bonds4

About phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate

phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate (PubChem CID 69217510) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
PubChem CID69217510
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Namephenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)Oc1ccccc1
InChIInChI=1S/C17H15FN2O2/c18-13-6-7-16-15(10-13)12(11-20-16)8-9-19-17(21)22-14-4-2-1-3-5-14/h1-7,10-11,20H,8-9H2,(H,19,21)
InChIKeyJVDXKYXGZQTXNM-UHFFFAOYSA-N
XLogP3.64
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide
CID 110731483
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 24749698
tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
CID 67394852
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 110731484
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 110731470
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111787771

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate (CID 69217510) is phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate is O=C(NCCc1c[nH]c2ccc(F)cc12)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is JVDXKYXGZQTXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-13-6-7-16-15(10-13)12(11-20-16)8-9-19-17(21)22-14-4-2-1-3-5-14/h1-7,10-11,20H,8-9H2,(H,19,21).
What are the key properties of phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate?
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 298.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 69217510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).