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

C15H13Cl2FN2O2 — CID 112977061

IUPAC1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea
SMILESO=C(NCCOc1ccc(F)cc1Cl)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O2/c16-10-2-1-3-12(8-10)20-15(21)19-6-7-22-14-5-4-11(18)9-13(14)17/h1-5,8-9H,6-7H2,(H2,19,20,21)
InChIKeyDRQZBPQPWSVABA-UHFFFAOYSA-N
MW343.19 g/mol
LogP4.33
Rot. Bonds5

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

1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea (PubChem CID 112977061) has the molecular formula C15H13Cl2FN2O2 and a molecular weight of 343.19 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea
PubChem CID112977061
Molecular FormulaC15H13Cl2FN2O2
Molecular Weight343.19 g/mol
Exact Mass342.03
IUPAC Name1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea
SMILESO=C(NCCOc1ccc(F)cc1Cl)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O2/c16-10-2-1-3-12(8-10)20-15(21)19-6-7-22-14-5-4-11(18)9-13(14)17/h1-5,8-9H,6-7H2,(H2,19,20,21)
InChIKeyDRQZBPQPWSVABA-UHFFFAOYSA-N
XLogP4.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 54.33
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-[2-(2-chlorophenoxy)ethyl]-3-(3-fluorophenyl)urea
CID 112970688
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(3-chlorophenyl)urea
CID 108882394
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea
CID 112977049
1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112977055
1-[2-(2-chlorophenoxy)ethyl]-3-(3-methylphenyl)urea
CID 112970623
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
CID 113102971
1-(3-chlorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974633
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113102946
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112976999

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea (CID 112977061) is 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea is O=C(NCCOc1ccc(F)cc1Cl)Nc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea?
The InChIKey is DRQZBPQPWSVABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O2/c16-10-2-1-3-12(8-10)20-15(21)19-6-7-22-14-5-4-11(18)9-13(14)17/h1-5,8-9H,6-7H2,(H2,19,20,21).
What are the key properties of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea?
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea has a molecular weight of 343.19 g/mol, XLogP of 4.33, 5 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-(3-chlorophenyl)urea is sourced from PubChem (CID 112977061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).