1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea

C15H16FN3O2 — CID 61031635

IUPAC1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea
SMILESNc1ccccc1OCCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2/c16-11-5-7-12(8-6-11)19-15(20)18-9-10-21-14-4-2-1-3-13(14)17/h1-8H,9-10,17H2,(H2,18,19,20)
InChIKeyWIVVJXNRKBNGMX-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.61
Rot. Bonds5

About 1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea

1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea (PubChem CID 61031635) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea
PubChem CID61031635
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea
SMILESNc1ccccc1OCCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2/c16-11-5-7-12(8-6-11)19-15(20)18-9-10-21-14-4-2-1-3-13(14)17/h1-8H,9-10,17H2,(H2,18,19,20)
InChIKeyWIVVJXNRKBNGMX-UHFFFAOYSA-N
XLogP2.61
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.61
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-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 112975532
2-(2-aminophenoxy)-N-(4-fluorophenyl)acetamide
CID 16789642
1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea
CID 112970293
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974631
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112971729
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
1-[2-(2-chlorophenoxy)ethyl]-3-(3-fluorophenyl)urea
CID 112970688

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea (CID 61031635) is 1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea is Nc1ccccc1OCCNC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea?
The InChIKey is WIVVJXNRKBNGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-11-5-7-12(8-6-11)19-15(20)18-9-10-21-14-4-2-1-3-13(14)17/h1-8H,9-10,17H2,(H2,18,19,20).
What are the key properties of 1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea?
1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea has a molecular weight of 289.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 61031635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).