1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea

C18H25FN4O2 — CID 16819868

IUPAC1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCN1CCCC1CNC(=O)NC1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C18H25FN4O2/c1-2-22-8-4-7-16(22)11-20-18(25)21-14-10-17(24)23(12-14)15-6-3-5-13(19)9-15/h3,5-6,9,14,16H,2,4,7-8,10-12H2,1H3,(H2,20,21,25)
InChIKeyCJWHERYVHCVXPH-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.71
Rot. Bonds5

About 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea

1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 16819868) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID16819868
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCN1CCCC1CNC(=O)NC1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C18H25FN4O2/c1-2-22-8-4-7-16(22)11-20-18(25)21-14-10-17(24)23(12-14)15-6-3-5-13(19)9-15/h3,5-6,9,14,16H,2,4,7-8,10-12H2,1H3,(H2,20,21,25)
InChIKeyCJWHERYVHCVXPH-UHFFFAOYSA-N
XLogP1.71
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
CID 42448175
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]urea
CID 42448178
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215036
1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546969
(2R)-2-ethyl-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7546843
1-cyclopentyl-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970168
N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide
CID 18564403
1-[(2R)-butan-2-yl]-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546996
1-[3-(azepan-1-yl)propyl]-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547599
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971095
1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547224
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 7546804

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (CID 16819868) is 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is CCN1CCCC1CNC(=O)NC1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is CJWHERYVHCVXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-2-22-8-4-7-16(22)11-20-18(25)21-14-10-17(24)23(12-14)15-6-3-5-13(19)9-15/h3,5-6,9,14,16H,2,4,7-8,10-12H2,1H3,(H2,20,21,25).
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 348.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 16819868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).