1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea

C18H21ClN2O4 — CID 52642986

IUPAC1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea
SMILESCCOc1cc(NC(=O)NCCOc2ccc(Cl)cc2)ccc1OC
InChIInChI=1S/C18H21ClN2O4/c1-3-24-17-12-14(6-9-16(17)23-2)21-18(22)20-10-11-25-15-7-4-13(19)5-8-15/h4-9,12H,3,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyHXPMZMFEGVSECT-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.95
Rot. Bonds8

About 1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea

1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea (PubChem CID 52642986) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea
PubChem CID52642986
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea
SMILESCCOc1cc(NC(=O)NCCOc2ccc(Cl)cc2)ccc1OC
InChIInChI=1S/C18H21ClN2O4/c1-3-24-17-12-14(6-9-16(17)23-2)21-18(22)20-10-11-25-15-7-4-13(19)5-8-15/h4-9,12H,3,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyHXPMZMFEGVSECT-UHFFFAOYSA-N
XLogP3.95
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
CID 112971005
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
CID 108875508
N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide
CID 55744579
1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866734
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112976610
1-[2-(3-tert-butylphenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 112972777
1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973207
1-[2-(4-chlorophenoxy)ethyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea
CID 60600852

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea (CID 52642986) is 1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea is CCOc1cc(NC(=O)NCCOc2ccc(Cl)cc2)ccc1OC.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea?
The InChIKey is HXPMZMFEGVSECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-3-24-17-12-14(6-9-16(17)23-2)21-18(22)20-10-11-25-15-7-4-13(19)5-8-15/h4-9,12H,3,10-11H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea?
1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea has a molecular weight of 364.83 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea is sourced from PubChem (CID 52642986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).