3-(2-amino-4-fluorophenyl)-1,1-diethylurea

C11H16FN3O — CID 79154224

IUPAC3-(2-amino-4-fluorophenyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C11H16FN3O/c1-3-15(4-2)11(16)14-10-6-5-8(12)7-9(10)13/h5-7H,3-4,13H2,1-2H3,(H,14,16)
InChIKeyPZUDJKHVULDSNJ-UHFFFAOYSA-N
MW225.27 g/mol
LogP2.28
Rot. Bonds3

About 3-(2-amino-4-fluorophenyl)-1,1-diethylurea

3-(2-amino-4-fluorophenyl)-1,1-diethylurea (PubChem CID 79154224) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-(2-amino-4-fluorophenyl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(2-amino-4-fluorophenyl)-1,1-diethylurea
PubChem CID79154224
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-(2-amino-4-fluorophenyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C11H16FN3O/c1-3-15(4-2)11(16)14-10-6-5-8(12)7-9(10)13/h5-7H,3-4,13H2,1-2H3,(H,14,16)
InChIKeyPZUDJKHVULDSNJ-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea
CID 107698052
3-[2-amino-4-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79153883
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
1,1-diethyl-3-(2,4,5-trifluorophenyl)urea
CID 115613885
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
CID 28691399
1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
CID 79162190
N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide
CID 16788040
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-fluorophenyl)-1,1-diethylurea?
The IUPAC name of 3-(2-amino-4-fluorophenyl)-1,1-diethylurea (CID 79154224) is 3-(2-amino-4-fluorophenyl)-1,1-diethylurea.
What is the SMILES notation for 3-(2-amino-4-fluorophenyl)-1,1-diethylurea?
The canonical SMILES for 3-(2-amino-4-fluorophenyl)-1,1-diethylurea is CCN(CC)C(=O)Nc1ccc(F)cc1N.
What is the InChIKey of 3-(2-amino-4-fluorophenyl)-1,1-diethylurea?
The InChIKey is PZUDJKHVULDSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-3-15(4-2)11(16)14-10-6-5-8(12)7-9(10)13/h5-7H,3-4,13H2,1-2H3,(H,14,16).
What are the key properties of 3-(2-amino-4-fluorophenyl)-1,1-diethylurea?
3-(2-amino-4-fluorophenyl)-1,1-diethylurea has a molecular weight of 225.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-fluorophenyl)-1,1-diethylurea is sourced from PubChem (CID 79154224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).