3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea

C18H18FN3O2 — CID 71875837

IUPAC3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESCN(C(=O)Nc1ccccc1F)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H18FN3O2/c1-21(18(24)20-15-10-6-5-9-14(15)19)16-11-12-22(17(16)23)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,20,24)
InChIKeyJSXRSDPLIZHCFY-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.09
Rot. Bonds3

About 3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea

3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea (PubChem CID 71875837) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
PubChem CID71875837
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESCN(C(=O)Nc1ccccc1F)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H18FN3O2/c1-21(18(24)20-15-10-6-5-9-14(15)19)16-11-12-22(17(16)23)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,20,24)
InChIKeyJSXRSDPLIZHCFY-UHFFFAOYSA-N
XLogP3.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95630430
1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea
CID 95980251
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119319400
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
N-methyl-2-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776453
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678
7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide
CID 119776437
2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
CID 99807453
2-methoxy-N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95303783
9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120989684
2-(2-methoxyethylamino)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776473
3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one
CID 111544278

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea (CID 71875837) is 3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea is CN(C(=O)Nc1ccccc1F)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea?
The InChIKey is JSXRSDPLIZHCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-21(18(24)20-15-10-6-5-9-14(15)19)16-11-12-22(17(16)23)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,20,24).
What are the key properties of 3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea?
3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea has a molecular weight of 327.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 71875837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).