(3-amino-4-fluorophenyl)urea

C7H8FN3O — CID 16776521

IUPAC(3-amino-4-fluorophenyl)urea
SMILESNC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C7H8FN3O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,9H2,(H3,10,11,12)
InChIKeyJRSODDCRTUFADW-UHFFFAOYSA-N
MW169.16 g/mol
LogP0.90
Rot. Bonds1

About (3-amino-4-fluorophenyl)urea

(3-amino-4-fluorophenyl)urea (PubChem CID 16776521) has the molecular formula C7H8FN3O and a molecular weight of 169.16 g/mol. Its IUPAC name is (3-amino-4-fluorophenyl)urea.

Molecular Properties

Compound Name(3-amino-4-fluorophenyl)urea
PubChem CID16776521
Molecular FormulaC7H8FN3O
Molecular Weight169.16 g/mol
Exact Mass169.07
IUPAC Name(3-amino-4-fluorophenyl)urea
SMILESNC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C7H8FN3O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,9H2,(H3,10,11,12)
InChIKeyJRSODDCRTUFADW-UHFFFAOYSA-N
XLogP0.90
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
1-(3-amino-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 54910981
N-(3-amino-4-fluorophenyl)but-2-enamide
CID 76991046
N-(3-amino-4-fluorophenyl)-2-methoxypropanamide
CID 16793944
N-(3-amino-4-fluorophenyl)-4-bromobenzamide
CID 16777540
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide
CID 43444152
N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
CID 81453774
N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
CID 103805248
4-[(3-amino-4-fluorophenyl)sulfamoyl]benzamide
CID 43604881
N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide
CID 16777839
butyl N-(3-amino-4-fluorophenyl)carbamate
CID 150760184

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-fluorophenyl)urea?
The IUPAC name of (3-amino-4-fluorophenyl)urea (CID 16776521) is (3-amino-4-fluorophenyl)urea.
What is the SMILES notation for (3-amino-4-fluorophenyl)urea?
The canonical SMILES for (3-amino-4-fluorophenyl)urea is NC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of (3-amino-4-fluorophenyl)urea?
The InChIKey is JRSODDCRTUFADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,9H2,(H3,10,11,12).
What are the key properties of (3-amino-4-fluorophenyl)urea?
(3-amino-4-fluorophenyl)urea has a molecular weight of 169.16 g/mol, XLogP of 0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-fluorophenyl)urea is sourced from PubChem (CID 16776521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).