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

C16H21FN2O2 — CID 49467042

IUPAC3-cyclopropyl-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea
SMILESO=C(NC1CC1)N(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C16H21FN2O2/c17-13-4-1-3-12(9-13)10-19(11-15-5-2-8-21-15)16(20)18-14-6-7-14/h1,3-4,9,14-15H,2,5-8,10-11H2,(H,18,20)
InChIKeySVZSPGSSVAYWTK-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.68
Rot. Bonds5

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

3-cyclopropyl-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea (PubChem CID 49467042) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclopropyl-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea
PubChem CID49467042
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name3-cyclopropyl-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea
SMILESO=C(NC1CC1)N(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C16H21FN2O2/c17-13-4-1-3-12(9-13)10-19(11-15-5-2-8-21-15)16(20)18-14-6-7-14/h1,3-4,9,14-15H,2,5-8,10-11H2,(H,18,20)
InChIKeySVZSPGSSVAYWTK-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 3-cyclopropyl-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea (CID 49467042) is 3-cyclopropyl-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 3-cyclopropyl-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 3-cyclopropyl-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea is O=C(NC1CC1)N(Cc1cccc(F)c1)CC1CCCO1.
What is the InChIKey of 3-cyclopropyl-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea?
The InChIKey is SVZSPGSSVAYWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-13-4-1-3-12(9-13)10-19(11-15-5-2-8-21-15)16(20)18-14-6-7-14/h1,3-4,9,14-15H,2,5-8,10-11H2,(H,18,20).
What are the key properties of 3-cyclopropyl-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea?
3-cyclopropyl-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea has a molecular weight of 292.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 49467042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).