1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea

C16H15FN4O2 — CID 95979903

IUPAC1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)N[C@@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C16H15FN4O2/c17-11-5-1-2-6-13(11)21-10-8-12(15(21)22)19-16(23)20-14-7-3-4-9-18-14/h1-7,9,12H,8,10H2,(H2,18,19,20,23)/t12-/m1/s1
InChIKeyNJNSXLHSGUFETQ-GFCCVEGCSA-N
MW314.32 g/mol
LogP2.15
Rot. Bonds3

About 1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea

1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea (PubChem CID 95979903) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea
PubChem CID95979903
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)N[C@@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C16H15FN4O2/c17-11-5-1-2-6-13(11)21-10-8-12(15(21)22)19-16(23)20-14-7-3-4-9-18-14/h1-7,9,12H,8,10H2,(H2,18,19,20,23)/t12-/m1/s1
InChIKeyNJNSXLHSGUFETQ-GFCCVEGCSA-N
XLogP2.15
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 95979904
2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119324605
2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 96526140
N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 96526242
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 96526243
tert-butyl N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]carbamate
CID 95623664
3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122065578
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120932670
(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide
CID 119785333
7-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119785281
(2S)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2-methoxy-2-phenylacetamide
CID 96526165
3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid
CID 122008222

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea (CID 95979903) is 1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea is O=C(Nc1ccccn1)N[C@@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea?
The InChIKey is NJNSXLHSGUFETQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-11-5-1-2-6-13(11)21-10-8-12(15(21)22)19-16(23)20-14-7-3-4-9-18-14/h1-7,9,12H,8,10H2,(H2,18,19,20,23)/t12-/m1/s1.
What are the key properties of 1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea?
1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea has a molecular weight of 314.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea is sourced from PubChem (CID 95979903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).