5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one

C11H12ClFN2O — CID 107530188

IUPAC5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNc2cc(F)ccc2Cl)N1
InChIInChI=1S/C11H12ClFN2O/c12-9-3-1-7(13)5-10(9)14-6-8-2-4-11(16)15-8/h1,3,5,8,14H,2,4,6H2,(H,15,16)
InChIKeyZOZXJBVOLFGYTR-UHFFFAOYSA-N
MW242.68 g/mol
LogP2.17
Rot. Bonds3

About 5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one

5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one (PubChem CID 107530188) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is 5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one
PubChem CID107530188
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNc2cc(F)ccc2Cl)N1
InChIInChI=1S/C11H12ClFN2O/c12-9-3-1-7(13)5-10(9)14-6-8-2-4-11(16)15-8/h1,3,5,8,14H,2,4,6H2,(H,15,16)
InChIKeyZOZXJBVOLFGYTR-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-chloro-3-fluoroanilino)methyl]pyrrolidin-2-one
CID 107529272
5-[(2-chloro-4-iodoanilino)methyl]pyrrolidin-2-one
CID 107606432
2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline
CID 107527336
5-[(3-bromo-4-chloroanilino)methyl]pyrrolidin-2-one
CID 107529688
5-[(4-bromo-2,3-dichloroanilino)methyl]pyrrolidin-2-one
CID 107788861
5-[(2,5-difluorophenyl)methyl]pyrrolidin-2-one
CID 104687085
5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
CID 104687134
5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one
CID 107529499
5-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]pyrrolidin-2-one
CID 107529260
5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one
CID 107530110
2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]-5-sulfanylbenzamide
CID 107030749
5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726591

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one (CID 107530188) is 5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one is O=C1CCC(CNc2cc(F)ccc2Cl)N1.
What is the InChIKey of 5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one?
The InChIKey is ZOZXJBVOLFGYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-9-3-1-7(13)5-10(9)14-6-8-2-4-11(16)15-8/h1,3,5,8,14H,2,4,6H2,(H,15,16).
What are the key properties of 5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one?
5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one has a molecular weight of 242.68 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 107530188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).