1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea

C18H20F2N2O5 — CID 112976270

IUPAC1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCCOc2ccc(F)cc2F)cc(OC)c1OC
InChIInChI=1S/C18H20F2N2O5/c1-24-15-9-12(10-16(25-2)17(15)26-3)22-18(23)21-6-7-27-14-5-4-11(19)8-13(14)20/h4-5,8-10H,6-7H2,1-3H3,(H2,21,22,23)
InChIKeyQOPWNPVLPUNNJR-UHFFFAOYSA-N
MW382.36 g/mol
LogP3.19
Rot. Bonds8

About 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea

1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 112976270) has the molecular formula C18H20F2N2O5 and a molecular weight of 382.36 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID112976270
Molecular FormulaC18H20F2N2O5
Molecular Weight382.36 g/mol
Exact Mass382.13
IUPAC Name1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCCOc2ccc(F)cc2F)cc(OC)c1OC
InChIInChI=1S/C18H20F2N2O5/c1-24-15-9-12(10-16(25-2)17(15)26-3)22-18(23)21-6-7-27-14-5-4-11(19)8-13(14)20/h4-5,8-10H,6-7H2,1-3H3,(H2,21,22,23)
InChIKeyQOPWNPVLPUNNJR-UHFFFAOYSA-N
XLogP3.19
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112976199
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112976610
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 112975532
1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866734
1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112973925
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
N-[2-(2,4-difluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102332
1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 38155146
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
1-(3,5-dimethylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970237
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea
CID 111337429
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112975521

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 112976270) is 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)NCCOc2ccc(F)cc2F)cc(OC)c1OC.
What is the InChIKey of 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is QOPWNPVLPUNNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O5/c1-24-15-9-12(10-16(25-2)17(15)26-3)22-18(23)21-6-7-27-14-5-4-11(19)8-13(14)20/h4-5,8-10H,6-7H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 382.36 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 112976270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).