1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea

C20H30FN3O2 — CID 60569431

IUPAC1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
SMILESCCCN1CCC(CNC(=O)NC(c2ccc(F)cc2)C2CCCO2)C1
InChIInChI=1S/C20H30FN3O2/c1-2-10-24-11-9-15(14-24)13-22-20(25)23-19(18-4-3-12-26-18)16-5-7-17(21)8-6-16/h5-8,15,18-19H,2-4,9-14H2,1H3,(H2,22,23,25)
InChIKeyOARIVJWEKOQCJM-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.08
Rot. Bonds7

About 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea

1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea (PubChem CID 60569431) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
PubChem CID60569431
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC Name1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
SMILESCCCN1CCC(CNC(=O)NC(c2ccc(F)cc2)C2CCCO2)C1
InChIInChI=1S/C20H30FN3O2/c1-2-10-24-11-9-15(14-24)13-22-20(25)23-19(18-4-3-12-26-18)16-5-7-17(21)8-6-16/h5-8,15,18-19H,2-4,9-14H2,1H3,(H2,22,23,25)
InChIKeyOARIVJWEKOQCJM-UHFFFAOYSA-N
XLogP3.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea (CID 60569431) is 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea is CCCN1CCC(CNC(=O)NC(c2ccc(F)cc2)C2CCCO2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea?
The InChIKey is OARIVJWEKOQCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-2-10-24-11-9-15(14-24)13-22-20(25)23-19(18-4-3-12-26-18)16-5-7-17(21)8-6-16/h5-8,15,18-19H,2-4,9-14H2,1H3,(H2,22,23,25).
What are the key properties of 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea?
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea has a molecular weight of 363.48 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 60569431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).