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

C15H21FN2O2 — CID 43061467

IUPAC1-[(3-fluorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)N(C)Cc1cccc(F)c1)C1CCCO1
InChIInChI=1S/C15H21FN2O2/c1-11(14-7-4-8-20-14)17-15(19)18(2)10-12-5-3-6-13(16)9-12/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyVUIFAUIFXPVNNB-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.53
Rot. Bonds4

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

1-[(3-fluorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 43061467) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID43061467
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-[(3-fluorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)N(C)Cc1cccc(F)c1)C1CCCO1
InChIInChI=1S/C15H21FN2O2/c1-11(14-7-4-8-20-14)17-15(19)18(2)10-12-5-3-6-13(16)9-12/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyVUIFAUIFXPVNNB-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-isopropenylphenyl)-1-methylethyl]-N'-(tetrahydro-2-furanylmethyl)urea
CID 2788461
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
N-[1-(tetrahydro-2-furanyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]urea
CID 2957113
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
1-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536729
1-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536740
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75536752
1-[(3-Fluorophenyl)methyl]-3-methyl-3-[(oxolan-3-YL)methyl]urea
CID 91905751
(3S,3aR,7aR)-3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboxamide
CID 97408153

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea (CID 43061467) is 1-[(3-fluorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea is CC(NC(=O)N(C)Cc1cccc(F)c1)C1CCCO1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is VUIFAUIFXPVNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11(14-7-4-8-20-14)17-15(19)18(2)10-12-5-3-6-13(16)9-12/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 1-[(3-fluorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea?
1-[(3-fluorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 280.34 g/mol, XLogP of 2.53, 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-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 43061467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).