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

C10H10ClFN2O — CID 126782155

IUPAC3-(4-chloro-3-fluoroanilino)pyrrolidin-2-one
SMILESO=C1NCCC1Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H10ClFN2O/c11-7-2-1-6(5-8(7)12)14-9-3-4-13-10(9)15/h1-2,5,9,14H,3-4H2,(H,13,15)
InChIKeyKSLOXDSLCPZTHE-UHFFFAOYSA-N
MW228.65 g/mol
LogP1.78
Rot. Bonds2

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

3-(4-chloro-3-fluoroanilino)pyrrolidin-2-one (PubChem CID 126782155) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is 3-(4-chloro-3-fluoroanilino)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-chloro-3-fluoroanilino)pyrrolidin-2-one
PubChem CID126782155
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name3-(4-chloro-3-fluoroanilino)pyrrolidin-2-one
SMILESO=C1NCCC1Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H10ClFN2O/c11-7-2-1-6(5-8(7)12)14-9-3-4-13-10(9)15/h1-2,5,9,14H,3-4H2,(H,13,15)
InChIKeyKSLOXDSLCPZTHE-UHFFFAOYSA-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-fluoro-3-methoxyanilino)pyrrolidin-2-one
CID 126782179
(3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one
CID 129397765
4-chloro-N-cyclopentyl-3-fluoroaniline
CID 43721398
3-(4-fluoroanilino)azepan-2-one
CID 42940986
3-(4-ethoxy-3-fluoroanilino)azepan-2-one
CID 115589008
3-[3-(difluoromethoxy)-4-methylanilino]pyrrolidin-2-one
CID 139010401
N-(4-chloro-3-fluorophenyl)-1,1-dioxothian-4-amine
CID 43721635
3-(2-amino-4-chloro-5-fluoroanilino)piperidin-2-one
CID 66076668
3-[1-(4-chloro-3-fluorophenyl)ethylamino]azepan-2-one
CID 82888994
methyl 2-bromo-5-[[(3S)-2-oxopyrrolidin-3-yl]amino]benzoate
CID 97124059
N-(4-chloro-3-fluorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43786134
N-(4-chloro-3-fluorophenyl)oxetan-3-amine
CID 63623661

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluoroanilino)pyrrolidin-2-one?
The IUPAC name of 3-(4-chloro-3-fluoroanilino)pyrrolidin-2-one (CID 126782155) is 3-(4-chloro-3-fluoroanilino)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-chloro-3-fluoroanilino)pyrrolidin-2-one?
The canonical SMILES for 3-(4-chloro-3-fluoroanilino)pyrrolidin-2-one is O=C1NCCC1Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 3-(4-chloro-3-fluoroanilino)pyrrolidin-2-one?
The InChIKey is KSLOXDSLCPZTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O/c11-7-2-1-6(5-8(7)12)14-9-3-4-13-10(9)15/h1-2,5,9,14H,3-4H2,(H,13,15).
What are the key properties of 3-(4-chloro-3-fluoroanilino)pyrrolidin-2-one?
3-(4-chloro-3-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 3-(4-chloro-3-fluoroanilino)pyrrolidin-2-one is sourced from PubChem (CID 126782155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).