(4-fluoroanilino)urea

C7H8FN3O — CID 3791691

IUPAC(4-fluoroanilino)urea
SMILESNC(=O)NNc1ccc(F)cc1
InChIInChI=1S/C7H8FN3O/c8-5-1-3-6(4-2-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12)
InChIKeyRICCMRNYTVYJMO-UHFFFAOYSA-N
MW169.16 g/mol
LogP0.82
Rot. Bonds2

About (4-fluoroanilino)urea

(4-fluoroanilino)urea (PubChem CID 3791691) has the molecular formula C7H8FN3O and a molecular weight of 169.16 g/mol. Its IUPAC name is (4-fluoroanilino)urea.

Molecular Properties

Compound Name(4-fluoroanilino)urea
PubChem CID3791691
Molecular FormulaC7H8FN3O
Molecular Weight169.16 g/mol
Exact Mass169.07
IUPAC Name(4-fluoroanilino)urea
SMILESNC(=O)NNc1ccc(F)cc1
InChIInChI=1S/C7H8FN3O/c8-5-1-3-6(4-2-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12)
InChIKeyRICCMRNYTVYJMO-UHFFFAOYSA-N
XLogP0.82
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluoroanilino)urea?
The IUPAC name of (4-fluoroanilino)urea (CID 3791691) is (4-fluoroanilino)urea.
What is the SMILES notation for (4-fluoroanilino)urea?
The canonical SMILES for (4-fluoroanilino)urea is NC(=O)NNc1ccc(F)cc1.
What is the InChIKey of (4-fluoroanilino)urea?
The InChIKey is RICCMRNYTVYJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O/c8-5-1-3-6(4-2-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12).
What are the key properties of (4-fluoroanilino)urea?
(4-fluoroanilino)urea has a molecular weight of 169.16 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoroanilino)urea is sourced from PubChem (CID 3791691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).