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

C14H19FN2O2 — CID 86912550

IUPAC1-[(3-fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea
SMILESCN(Cc1cccc(F)c1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H19FN2O2/c1-17(10-11-4-2-5-12(15)8-11)14(18)16-9-13-6-3-7-19-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,18)
InChIKeyYRKHZIVSCVJZST-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.15
Rot. Bonds4

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

1-[(3-fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea (PubChem CID 86912550) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea
PubChem CID86912550
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[(3-fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea
SMILESCN(Cc1cccc(F)c1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H19FN2O2/c1-17(10-11-4-2-5-12(15)8-11)14(18)16-9-13-6-3-7-19-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,18)
InChIKeyYRKHZIVSCVJZST-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746777
N-[1-(3-isopropenylphenyl)-1-methylethyl]-N'-(tetrahydro-2-furanylmethyl)urea
CID 2788461
N-(4-Methyl-benzyl)-N'-(tetrahydro-furan-2-ylmethyl)-oxalamide
CID 2891290
N~2~-{[cyclohexyl(2-fluorobenzyl)amino]carbonothioyl}-N~1~-(tetrahydrofuran-2-ylmethyl)glycinamide
CID 16193390
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 4204658
(4-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746785
(2-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746787
1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine
CID 832718
(3-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 3156813
N~2~-{[cyclohexyl(4-fluorobenzyl)amino]carbonothioyl}-N~1~-(tetrahydrofuran-2-ylmethyl)glycinamide
CID 4380794
2-(4-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 50746900
2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 50746957

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea (CID 86912550) is 1-[(3-fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea is CN(Cc1cccc(F)c1)C(=O)NCC1CCCO1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea?
The InChIKey is YRKHZIVSCVJZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(10-11-4-2-5-12(15)8-11)14(18)16-9-13-6-3-7-19-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,18).
What are the key properties of 1-[(3-fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea?
1-[(3-fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea has a molecular weight of 266.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 86912550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).