[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea

C11H12FN3O2 — CID 7548387

IUPAC[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESNC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C11H12FN3O2/c12-7-1-3-9(4-2-7)15-6-8(5-10(15)16)14-11(13)17/h1-4,8H,5-6H2,(H3,13,14,17)/t8-/m0/s1
InChIKeyQKWBPPVHJSTXJC-QMMMGPOBSA-N
MW237.23 g/mol
LogP0.60
Rot. Bonds2

About [(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea

[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 7548387) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is [(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID7548387
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESNC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C11H12FN3O2/c12-7-1-3-9(4-2-7)15-6-8(5-10(15)16)14-11(13)17/h1-4,8H,5-6H2,(H3,13,14,17)/t8-/m0/s1
InChIKeyQKWBPPVHJSTXJC-QMMMGPOBSA-N
XLogP0.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
1-cyclopentyl-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970310
1-cyclopentyl-3-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548063
1-cyclopentyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548061
2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971184
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]azepane-1-carboxamide
CID 18564413
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-hydroxypiperidine-1-carboxamide
CID 7215665
5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 43971201
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563649
2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563633
2-(4-fluorophenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254979
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7548160

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of [(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (CID 7548387) is [(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for [(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for [(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is NC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is QKWBPPVHJSTXJC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12FN3O2/c12-7-1-3-9(4-2-7)15-6-8(5-10(15)16)14-11(13)17/h1-4,8H,5-6H2,(H3,13,14,17)/t8-/m0/s1.
What are the key properties of [(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 237.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 7548387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).