(5-fluoro-1H-indol-3-yl)urea

C9H8FN3O — CID 167168212

IUPAC(5-fluoro-1H-indol-3-yl)urea
SMILESNC(=O)Nc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C9H8FN3O/c10-5-1-2-7-6(3-5)8(4-12-7)13-9(11)14/h1-4,12H,(H3,11,13,14)
InChIKeyKWGNGBWLSXUXMS-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.80
Rot. Bonds1

About (5-fluoro-1H-indol-3-yl)urea

(5-fluoro-1H-indol-3-yl)urea (PubChem CID 167168212) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is (5-fluoro-1H-indol-3-yl)urea.

Molecular Properties

Compound Name(5-fluoro-1H-indol-3-yl)urea
PubChem CID167168212
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name(5-fluoro-1H-indol-3-yl)urea
SMILESNC(=O)Nc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C9H8FN3O/c10-5-1-2-7-6(3-5)8(4-12-7)13-9(11)14/h1-4,12H,(H3,11,13,14)
InChIKeyKWGNGBWLSXUXMS-UHFFFAOYSA-N
XLogP1.80
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-3-yl)urea?
The IUPAC name of (5-fluoro-1H-indol-3-yl)urea (CID 167168212) is (5-fluoro-1H-indol-3-yl)urea.
What is the SMILES notation for (5-fluoro-1H-indol-3-yl)urea?
The canonical SMILES for (5-fluoro-1H-indol-3-yl)urea is NC(=O)Nc1c[nH]c2ccc(F)cc12.
What is the InChIKey of (5-fluoro-1H-indol-3-yl)urea?
The InChIKey is KWGNGBWLSXUXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-5-1-2-7-6(3-5)8(4-12-7)13-9(11)14/h1-4,12H,(H3,11,13,14).
What are the key properties of (5-fluoro-1H-indol-3-yl)urea?
(5-fluoro-1H-indol-3-yl)urea has a molecular weight of 193.18 g/mol, XLogP of 1.80, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-3-yl)urea is sourced from PubChem (CID 167168212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).