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

C15H12ClF3N2O2 — CID 112976389

IUPAC1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
SMILESO=C(NCCOc1ccc(F)c(F)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12ClF3N2O2/c16-11-7-9(1-3-12(11)17)21-15(22)20-5-6-23-10-2-4-13(18)14(19)8-10/h1-4,7-8H,5-6H2,(H2,20,21,22)
InChIKeyJBGVKHZVDVDHSD-UHFFFAOYSA-N
MW344.72 g/mol
LogP3.96
Rot. Bonds5

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

1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea (PubChem CID 112976389) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
PubChem CID112976389
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
SMILESO=C(NCCOc1ccc(F)c(F)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12ClF3N2O2/c16-11-7-9(1-3-12(11)17)21-15(22)20-5-6-23-10-2-4-13(18)14(19)8-10/h1-4,7-8H,5-6H2,(H2,20,21,22)
InChIKeyJBGVKHZVDVDHSD-UHFFFAOYSA-N
XLogP3.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]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-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
CID 112971005
1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 86807501
1-(3-chloro-4-fluorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971573
1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 112976375
1-(2,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976444
1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976443
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
1-[2-(3,4-difluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112976406
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea
CID 47238015
1-[2-(3,4-difluorophenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112976455
1-(3-chloro-4-fluorophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975360
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea (CID 112976389) is 1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea is O=C(NCCOc1ccc(F)c(F)c1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea?
The InChIKey is JBGVKHZVDVDHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c16-11-7-9(1-3-12(11)17)21-15(22)20-5-6-23-10-2-4-13(18)14(19)8-10/h1-4,7-8H,5-6H2,(H2,20,21,22).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea?
1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea has a molecular weight of 344.72 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea is sourced from PubChem (CID 112976389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).