1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea

C17H17FN4O2 — CID 16819860

IUPAC1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)NC1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C17H17FN4O2/c18-12-4-3-6-15(8-12)22-11-14(9-16(22)23)21-17(24)20-10-13-5-1-2-7-19-13/h1-8,14H,9-11H2,(H2,20,21,24)
InChIKeyLJJSFNWBXJPJPM-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.83
Rot. Bonds4

About 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea

1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 16819860) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea
PubChem CID16819860
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)NC1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C17H17FN4O2/c18-12-4-3-6-15(8-12)22-11-14(9-16(22)23)21-17(24)20-10-13-5-1-2-7-19-13/h1-8,14H,9-11H2,(H2,20,21,24)
InChIKeyLJJSFNWBXJPJPM-UHFFFAOYSA-N
XLogP1.83
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547224
1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 16819859
1-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215500
1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546969
1-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 7215524
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
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971138
1-(2-ethoxyphenyl)-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564371
1-(4-fluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547338
2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7563337
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971095

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea (CID 16819860) is 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea is O=C(NCc1ccccn1)NC1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is LJJSFNWBXJPJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-12-4-3-6-15(8-12)22-11-14(9-16(22)23)21-17(24)20-10-13-5-1-2-7-19-13/h1-8,14H,9-11H2,(H2,20,21,24).
What are the key properties of 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea?
1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 328.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 16819860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).