1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea

C18H21FN2O2 — CID 3255337

IUPAC1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCCOc1ccccc1CCNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2/c1-2-23-17-6-4-3-5-15(17)11-12-20-18(22)21-13-14-7-9-16(19)10-8-14/h3-10H,2,11-13H2,1H3,(H2,20,21,22)
InChIKeyURUJPFQGQCPMBD-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.27
Rot. Bonds7

About 1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea

1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 3255337) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID3255337
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCCOc1ccccc1CCNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2/c1-2-23-17-6-4-3-5-15(17)11-12-20-18(22)21-13-14-7-9-16(19)10-8-14/h3-10H,2,11-13H2,1H3,(H2,20,21,22)
InChIKeyURUJPFQGQCPMBD-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110929828
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38383800
1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 60569628
3-(2-ethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 31725859
1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108877434
(2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 41187411
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7951720
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
1-[2-(2-ethylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 112971654
ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate
CID 108902202

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea (CID 3255337) is 1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea is CCOc1ccccc1CCNC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is URUJPFQGQCPMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-2-23-17-6-4-3-5-15(17)11-12-20-18(22)21-13-14-7-9-16(19)10-8-14/h3-10H,2,11-13H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 316.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 3255337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).