1-[2-(3,4-difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea

C15H20F2N2O2 — CID 84595336

IUPAC1-[2-(3,4-difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea
SMILESCC(CNC(=O)NC1CCOC1C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-9(11-3-4-12(16)13(17)7-11)8-18-15(20)19-14-5-6-21-10(14)2/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H2,18,19,20)
InChIKeyKSXLEYDOQSXWED-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-(3,4-difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea

1-[2-(3,4-difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea (PubChem CID 84595336) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea
PubChem CID84595336
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name1-[2-(3,4-difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea
SMILESCC(CNC(=O)NC1CCOC1C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-9(11-3-4-12(16)13(17)7-11)8-18-15(20)19-14-5-6-21-10(14)2/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H2,18,19,20)
InChIKeyKSXLEYDOQSXWED-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-isopropenylphenyl)-1-methylethyl]-N'-(tetrahydro-2-furanylmethyl)urea
CID 2788461
1-((1-(4-Fluorophenyl)cyclopropyl)methyl)-3-(2-methoxyethyl)urea
CID 45497264
3-Cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea
CID 75377624
1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(2S,3R)-3-[2-(trifluoromethyl)phenyl]butan-2-yl]urea
CID 129424757
3-Methyl-3-[(oxolan-3-YL)methyl]-1-(2-phenylethyl)urea
CID 91905755
1-Benzyl-3-[1-(oxolan-2-yl)ethyl]urea
CID 46577481
1-(2-Cyclopropyl-2-hydroxyethyl)-3-[2-(3,4-difluorophenyl)propyl]urea
CID 71867587
1-[2-(3,4-Difluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 71868149
N-[2-(4-fluorophenyl)cyclopentyl]morpholine-4-carboxamide
CID 71869654
3-[Cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 71921363
1-Cyclopropyl-1-[2-(3-fluorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 72014519
1-[2-(2,3-Difluorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 72017132

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea?
The IUPAC name of 1-[2-(3,4-difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea (CID 84595336) is 1-[2-(3,4-difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea is CC(CNC(=O)NC1CCOC1C)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea?
The InChIKey is KSXLEYDOQSXWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-9(11-3-4-12(16)13(17)7-11)8-18-15(20)19-14-5-6-21-10(14)2/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(3,4-difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea?
1-[2-(3,4-difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea has a molecular weight of 298.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea is sourced from PubChem (CID 84595336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).