1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea

C15H13ClF2N2O2 — CID 112971005

IUPAC1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
SMILESO=C(NCCOc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF2N2O2/c16-10-1-4-12(5-2-10)22-8-7-19-15(21)20-11-3-6-13(17)14(18)9-11/h1-6,9H,7-8H2,(H2,19,20,21)
InChIKeyXORPOAGJQIFUMF-UHFFFAOYSA-N
MW326.73 g/mol
LogP3.82
Rot. Bonds5

About 1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea

1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea (PubChem CID 112971005) has the molecular formula C15H13ClF2N2O2 and a molecular weight of 326.73 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
PubChem CID112971005
Molecular FormulaC15H13ClF2N2O2
Molecular Weight326.73 g/mol
Exact Mass326.06
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
SMILESO=C(NCCOc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF2N2O2/c16-10-1-4-12(5-2-10)22-8-7-19-15(21)20-11-3-6-13(17)14(18)9-11/h1-6,9H,7-8H2,(H2,19,20,21)
InChIKeyXORPOAGJQIFUMF-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.73
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976389
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 86807501
1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 112976375
1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea
CID 52642986
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-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974535
1-[2-(3,4-difluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112976406
1-(3-chloro-4-fluorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971573
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
1-[2-(3,4-difluorophenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112976455

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea (CID 112971005) is 1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea is O=C(NCCOc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea?
The InChIKey is XORPOAGJQIFUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O2/c16-10-1-4-12(5-2-10)22-8-7-19-15(21)20-11-3-6-13(17)14(18)9-11/h1-6,9H,7-8H2,(H2,19,20,21).
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea?
1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea has a molecular weight of 326.73 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea is sourced from PubChem (CID 112971005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).