3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea

C21H25FN2O2 — CID 17383975

IUPAC3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea
SMILESCCc1ccccc1NC(=O)N(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C21H25FN2O2/c1-2-17-6-3-4-8-20(17)23-21(25)24(15-19-7-5-13-26-19)14-16-9-11-18(22)12-10-16/h3-4,6,8-12,19H,2,5,7,13-15H2,1H3,(H,23,25)
InChIKeySAIIBIWPIXLTFL-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.60
Rot. Bonds6

About 3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea

3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea (PubChem CID 17383975) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea
PubChem CID17383975
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea
SMILESCCc1ccccc1NC(=O)N(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C21H25FN2O2/c1-2-17-6-3-4-8-20(17)23-21(25)24(15-19-7-5-13-26-19)14-16-9-11-18(22)12-10-16/h3-4,6,8-12,19H,2,5,7,13-15H2,1H3,(H,23,25)
InChIKeySAIIBIWPIXLTFL-UHFFFAOYSA-N
XLogP4.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea (CID 17383975) is 3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea is CCc1ccccc1NC(=O)N(Cc1ccc(F)cc1)CC1CCCO1.
What is the InChIKey of 3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea?
The InChIKey is SAIIBIWPIXLTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-2-17-6-3-4-8-20(17)23-21(25)24(15-19-7-5-13-26-19)14-16-9-11-18(22)12-10-16/h3-4,6,8-12,19H,2,5,7,13-15H2,1H3,(H,23,25).
What are the key properties of 3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea?
3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea has a molecular weight of 356.44 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 17383975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).