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

C18H21FN2O3 — CID 108891607

IUPAC1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
SMILESCCOc1ccc(CCNC(=O)Nc2ccccc2F)cc1OC
InChIInChI=1S/C18H21FN2O3/c1-3-24-16-9-8-13(12-17(16)23-2)10-11-20-18(22)21-15-7-5-4-6-14(15)19/h4-9,12H,3,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyRNRWZDCIWQVDNU-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.60
Rot. Bonds7

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

1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea (PubChem CID 108891607) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
PubChem CID108891607
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
SMILESCCOc1ccc(CCNC(=O)Nc2ccccc2F)cc1OC
InChIInChI=1S/C18H21FN2O3/c1-3-24-16-9-8-13(12-17(16)23-2)10-11-20-18(22)21-15-7-5-4-6-14(15)19/h4-9,12H,3,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyRNRWZDCIWQVDNU-UHFFFAOYSA-N
XLogP3.60
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891763
1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891619
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871526
1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38383800
1-(5-chloro-2-methylphenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891555
1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108868804
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea
CID 60562580
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate
CID 13352291
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea (CID 108891607) is 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea is CCOc1ccc(CCNC(=O)Nc2ccccc2F)cc1OC.
What is the InChIKey of 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea?
The InChIKey is RNRWZDCIWQVDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-3-24-16-9-8-13(12-17(16)23-2)10-11-20-18(22)21-15-7-5-4-6-14(15)19/h4-9,12H,3,10-11H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea?
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea has a molecular weight of 332.38 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 108891607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).