1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea

C10H14FN3O2 — CID 118069861

IUPAC1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1ccc(N)cc1F
InChIInChI=1S/C10H14FN3O2/c1-16-5-4-13-10(15)14-9-3-2-7(12)6-8(9)11/h2-3,6H,4-5,12H2,1H3,(H2,13,14,15)
InChIKeySDUFFAVKHZBTTR-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.18
Rot. Bonds4

About 1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea

1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea (PubChem CID 118069861) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea
PubChem CID118069861
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1ccc(N)cc1F
InChIInChI=1S/C10H14FN3O2/c1-16-5-4-13-10(15)14-9-3-2-7(12)6-8(9)11/h2-3,6H,4-5,12H2,1H3,(H2,13,14,15)
InChIKeySDUFFAVKHZBTTR-UHFFFAOYSA-N
XLogP1.18
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47032179
1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894556
1-(2,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 5054028
2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 61368807
1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea
CID 108890504
1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea
CID 51100451
1-[2-amino-4-(benzenesulfinyl)phenyl]-3-(2-methoxyethyl)urea
CID 54379508
N-(4-amino-2-fluorophenyl)-2-methylbutanamide
CID 43831298
1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 47223994
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-fluorobenzoate
CID 61315810
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 43288460

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea (CID 118069861) is 1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea is COCCNC(=O)Nc1ccc(N)cc1F.
What is the InChIKey of 1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea?
The InChIKey is SDUFFAVKHZBTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-16-5-4-13-10(15)14-9-3-2-7(12)6-8(9)11/h2-3,6H,4-5,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea?
1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea has a molecular weight of 227.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea is sourced from PubChem (CID 118069861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).