1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea

C17H17FN2O2 — CID 113215715

IUPAC1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
SMILESCOc1ccc(C2(NC(=O)Nc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C17H17FN2O2/c1-22-15-7-5-12(6-8-15)17(9-10-17)20-16(21)19-14-4-2-3-13(18)11-14/h2-8,11H,9-10H2,1H3,(H2,19,20,21)
InChIKeyCTWUUKJJIBMGFY-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.65
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea

1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea (PubChem CID 113215715) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
PubChem CID113215715
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
SMILESCOc1ccc(C2(NC(=O)Nc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C17H17FN2O2/c1-22-15-7-5-12(6-8-15)17(9-10-17)20-16(21)19-14-4-2-3-13(18)11-14/h2-8,11H,9-10H2,1H3,(H2,19,20,21)
InChIKeyCTWUUKJJIBMGFY-UHFFFAOYSA-N
XLogP3.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea
CID 113215891
1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215717
1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea
CID 52858727
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215721
1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215697
1-[1-(4-methoxyphenyl)cyclopropyl]-3-(4-propan-2-ylphenyl)urea
CID 113215661
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
1-N-(3-fluorophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143442
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea
CID 113215580
1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215332

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea (CID 113215715) is 1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea is COc1ccc(C2(NC(=O)Nc3cccc(F)c3)CC2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The InChIKey is CTWUUKJJIBMGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-22-15-7-5-12(6-8-15)17(9-10-17)20-16(21)19-14-4-2-3-13(18)11-14/h2-8,11H,9-10H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea has a molecular weight of 300.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea is sourced from PubChem (CID 113215715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).