3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea

C15H22FN3O2 — CID 106613441

IUPAC3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea
SMILESCOCCN(CC1CCCN1)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H22FN3O2/c1-21-10-9-19(11-12-5-4-8-17-12)15(20)18-14-7-3-2-6-13(14)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3,(H,18,20)
InChIKeyHWUHJLJYLJOMOF-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.06
Rot. Bonds6

About 3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea

3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea (PubChem CID 106613441) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea
PubChem CID106613441
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea
SMILESCOCCN(CC1CCCN1)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H22FN3O2/c1-21-10-9-19(11-12-5-4-8-17-12)15(20)18-14-7-3-2-6-13(14)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3,(H,18,20)
InChIKeyHWUHJLJYLJOMOF-UHFFFAOYSA-N
XLogP2.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea
CID 106629687
3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea
CID 43187196
2-fluoro-N-(2-methoxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611823
(E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106611607
2,6-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611526
pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate
CID 79337811
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
4-fluoro-2-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107016129
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605738
N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611571
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
1-(3-amino-3-hydroxyiminopropyl)-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea
CID 76993854

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea (CID 106613441) is 3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea is COCCN(CC1CCCN1)C(=O)Nc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is HWUHJLJYLJOMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-21-10-9-19(11-12-5-4-8-17-12)15(20)18-14-7-3-2-6-13(14)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3,(H,18,20).
What are the key properties of 3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea?
3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 295.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea is sourced from PubChem (CID 106613441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).