(3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one

C10H10ClFN2O — CID 129397765

IUPAC(3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one
SMILESO=C1NCC[C@H]1Nc1ccc(Cl)cc1F
InChIInChI=1S/C10H10ClFN2O/c11-6-1-2-8(7(12)5-6)14-9-3-4-13-10(9)15/h1-2,5,9,14H,3-4H2,(H,13,15)/t9-/m1/s1
InChIKeyPPZXYOHQMAYVKZ-SECBINFHSA-N
MW228.65 g/mol
LogP1.78
Rot. Bonds2

About (3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one

(3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one (PubChem CID 129397765) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is (3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one
PubChem CID129397765
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name(3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one
SMILESO=C1NCC[C@H]1Nc1ccc(Cl)cc1F
InChIInChI=1S/C10H10ClFN2O/c11-6-1-2-8(7(12)5-6)14-9-3-4-13-10(9)15/h1-2,5,9,14H,3-4H2,(H,13,15)/t9-/m1/s1
InChIKeyPPZXYOHQMAYVKZ-SECBINFHSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-amino-2-fluoroanilino)piperidin-2-one
CID 62093075
3-(4-chloro-3-fluoroanilino)pyrrolidin-2-one
CID 126782155
N-(4-chloro-2-fluorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981250
4-chloro-2-[(2-oxopiperidin-3-yl)amino]benzonitrile
CID 63082095
3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one
CID 126782179
3-(2-amino-4-chloro-5-fluoroanilino)piperidin-2-one
CID 66076668
3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one
CID 126778663
4-chloro-N-cyclohexyl-2-fluoroaniline
CID 43716554
3-(2-iodoanilino)pyrrolidin-2-one
CID 130703333
3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 156505691
3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione
CID 43637896
3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one
CID 103052236

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one?
The IUPAC name of (3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one (CID 129397765) is (3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one is O=C1NCC[C@H]1Nc1ccc(Cl)cc1F.
What is the InChIKey of (3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one?
The InChIKey is PPZXYOHQMAYVKZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H10ClFN2O/c11-6-1-2-8(7(12)5-6)14-9-3-4-13-10(9)15/h1-2,5,9,14H,3-4H2,(H,13,15)/t9-/m1/s1.
What are the key properties of (3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one?
(3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one has a molecular weight of 228.65 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one is sourced from PubChem (CID 129397765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).