1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea

C14H18FN3O3 — CID 7547969

IUPAC1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea
SMILESC[C@@H](O)CNC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C14H18FN3O3/c1-9(19)7-16-14(21)17-11-6-13(20)18(8-11)12-4-2-10(15)3-5-12/h2-5,9,11,19H,6-8H2,1H3,(H2,16,17,21)/t9-,11+/m1/s1
InChIKeyBLBFCECUBJAVFM-KOLCDFICSA-N
MW295.31 g/mol
LogP0.61
Rot. Bonds4

About 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea

1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea (PubChem CID 7547969) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea
PubChem CID7547969
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea
SMILESC[C@@H](O)CNC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C14H18FN3O3/c1-9(19)7-16-14(21)17-11-6-13(20)18(8-11)12-4-2-10(15)3-5-12/h2-5,9,11,19H,6-8H2,1H3,(H2,16,17,21)/t9-,11+/m1/s1
InChIKeyBLBFCECUBJAVFM-KOLCDFICSA-N
XLogP0.61
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea with MolForge

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Related Compounds

1-butan-2-yl-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970288
1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3-propan-2-yloxypropyl)urea
CID 7547949
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3-hydroxypropyl)urea
CID 43970296
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methoxyphenyl)methyl]urea
CID 16819877
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea
CID 18564419
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
1-[(4-chlorophenyl)methyl]-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215724
1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 7215734
1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 7545857
[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea?
The IUPAC name of 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea (CID 7547969) is 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea?
The canonical SMILES for 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea is C[C@@H](O)CNC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea?
The InChIKey is BLBFCECUBJAVFM-KOLCDFICSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-9(19)7-16-14(21)17-11-6-13(20)18(8-11)12-4-2-10(15)3-5-12/h2-5,9,11,19H,6-8H2,1H3,(H2,16,17,21)/t9-,11+/m1/s1.
What are the key properties of 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea?
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea has a molecular weight of 295.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea is sourced from PubChem (CID 7547969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).