1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea

C17H18ClFN2O2 — CID 112977049

IUPAC1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NCCOc1ccc(F)cc1Cl
InChIInChI=1S/C17H18ClFN2O2/c1-2-12-5-3-4-6-15(12)21-17(22)20-9-10-23-16-8-7-13(19)11-14(16)18/h3-8,11H,2,9-10H2,1H3,(H2,20,21,22)
InChIKeyFHTIGGXKPJKUTA-UHFFFAOYSA-N
MW336.79 g/mol
LogP4.24
Rot. Bonds6

About 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea

1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea (PubChem CID 112977049) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea
PubChem CID112977049
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NCCOc1ccc(F)cc1Cl
InChIInChI=1S/C17H18ClFN2O2/c1-2-12-5-3-4-6-15(12)21-17(22)20-9-10-23-16-8-7-13(19)11-14(16)18/h3-8,11H,2,9-10H2,1H3,(H2,20,21,22)
InChIKeyFHTIGGXKPJKUTA-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)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-chloro-4-fluorophenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112976999
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112977055
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea
CID 112977061
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
CID 113102971
1-[2-(2-chlorophenoxy)ethyl]-3-(3-fluorophenyl)urea
CID 112970688
3-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,1-diethylurea
CID 112977021
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102932
1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea
CID 112970637
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971745
1-[3-(2-bromo-4-tert-butylphenoxy)propyl]-3-(2-ethylphenyl)urea
CID 108882145

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea?
The IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea (CID 112977049) is 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)NCCOc1ccc(F)cc1Cl.
What is the InChIKey of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea?
The InChIKey is FHTIGGXKPJKUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c1-2-12-5-3-4-6-15(12)21-17(22)20-9-10-23-16-8-7-13(19)11-14(16)18/h3-8,11H,2,9-10H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea?
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea has a molecular weight of 336.79 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea is sourced from PubChem (CID 112977049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).