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

C14H19FN2O2 — CID 110875848

IUPAC3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCN(CC1CCOC1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-17(9-12-6-7-19-10-12)14(18)16-8-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyYCAQDEOTTUSWPR-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.00
Rot. Bonds4

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

3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 110875848) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea
PubChem CID110875848
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCN(CC1CCOC1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-17(9-12-6-7-19-10-12)14(18)16-8-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyYCAQDEOTTUSWPR-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea (CID 110875848) is 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea is CN(CC1CCOC1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea?
The InChIKey is YCAQDEOTTUSWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(9-12-6-7-19-10-12)14(18)16-8-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18).
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea?
3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea has a molecular weight of 266.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 110875848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).