1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea

C17H18FN3O — CID 10171756

IUPAC1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea
SMILESO=C(NCCN1CCc2cc(F)ccc21)Nc1ccccc1
InChIInChI=1S/C17H18FN3O/c18-14-6-7-16-13(12-14)8-10-21(16)11-9-19-17(22)20-15-4-2-1-3-5-15/h1-7,12H,8-11H2,(H2,19,20,22)
InChIKeyYTRNDKLMOKYMJJ-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.01
Rot. Bonds4

About 1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea

1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea (PubChem CID 10171756) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea
PubChem CID10171756
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea
SMILESO=C(NCCN1CCc2cc(F)ccc21)Nc1ccccc1
InChIInChI=1S/C17H18FN3O/c18-14-6-7-16-13(12-14)8-10-21(16)11-9-19-17(22)20-15-4-2-1-3-5-15/h1-7,12H,8-11H2,(H2,19,20,22)
InChIKeyYTRNDKLMOKYMJJ-UHFFFAOYSA-N
XLogP3.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea (CID 10171756) is 1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea is O=C(NCCN1CCc2cc(F)ccc21)Nc1ccccc1.
What is the InChIKey of 1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea?
The InChIKey is YTRNDKLMOKYMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-14-6-7-16-13(12-14)8-10-21(16)11-9-19-17(22)20-15-4-2-1-3-5-15/h1-7,12H,8-11H2,(H2,19,20,22).
What are the key properties of 1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea?
1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea has a molecular weight of 299.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 10171756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).