1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea

C18H18FN3O2 — CID 7547224

IUPAC1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESO=C(NCc1ccccc1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C18H18FN3O2/c19-14-7-4-8-16(9-14)22-12-15(10-17(22)23)21-18(24)20-11-13-5-2-1-3-6-13/h1-9,15H,10-12H2,(H2,20,21,24)/t15-/m0/s1
InChIKeyNYTRQZRVLVTFGB-HNNXBMFYSA-N
MW327.36 g/mol
LogP2.43
Rot. Bonds4

About 1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea

1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 7547224) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID7547224
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESO=C(NCc1ccccc1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C18H18FN3O2/c19-14-7-4-8-16(9-14)22-12-15(10-17(22)23)21-18(24)20-11-13-5-2-1-3-6-13/h1-9,15H,10-12H2,(H2,20,21,24)/t15-/m0/s1
InChIKeyNYTRQZRVLVTFGB-HNNXBMFYSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 16819859
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971138
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-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea
CID 16819860
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-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-diphenylacetamide
CID 7255404
1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea
CID 7162503
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(4-fluorophenyl)methyl]urea
CID 7543292
1-(4-fluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547338

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (CID 7547224) is 1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is O=C(NCc1ccccc1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of 1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is NYTRQZRVLVTFGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-7-4-8-16(9-14)22-12-15(10-17(22)23)21-18(24)20-11-13-5-2-1-3-6-13/h1-9,15H,10-12H2,(H2,20,21,24)/t15-/m0/s1.
What are the key properties of 1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 327.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 7547224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).