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

C17H19FN2O4 — CID 112975532

IUPAC1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea
SMILESCOc1cccc(OCCNC(=O)Nc2ccc(F)cc2)c1OC
InChIInChI=1S/C17H19FN2O4/c1-22-14-4-3-5-15(16(14)23-2)24-11-10-19-17(21)20-13-8-6-12(18)7-9-13/h3-9H,10-11H2,1-2H3,(H2,19,20,21)
InChIKeyHCSGNYHHVBTFAH-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.04
Rot. Bonds7

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

1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea (PubChem CID 112975532) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea
PubChem CID112975532
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea
SMILESCOc1cccc(OCCNC(=O)Nc2ccc(F)cc2)c1OC
InChIInChI=1S/C17H19FN2O4/c1-22-14-4-3-5-15(16(14)23-2)24-11-10-19-17(21)20-13-8-6-12(18)7-9-13/h3-9H,10-11H2,1-2H3,(H2,19,20,21)
InChIKeyHCSGNYHHVBTFAH-UHFFFAOYSA-N
XLogP3.04
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112975521
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112975591
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
CID 112975574
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112976270
1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 61031635
1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
CID 112975433
1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112973925
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113101954
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 112975528

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea (CID 112975532) is 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea is COc1cccc(OCCNC(=O)Nc2ccc(F)cc2)c1OC.
What is the InChIKey of 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea?
The InChIKey is HCSGNYHHVBTFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-22-14-4-3-5-15(16(14)23-2)24-11-10-19-17(21)20-13-8-6-12(18)7-9-13/h3-9H,10-11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea?
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea has a molecular weight of 334.35 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 112975532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).