5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one

C12H15FN2O2 — CID 107530110

IUPAC5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one
SMILESCOc1cc(NCC2CCC(=O)N2)ccc1F
InChIInChI=1S/C12H15FN2O2/c1-17-11-6-8(2-4-10(11)13)14-7-9-3-5-12(16)15-9/h2,4,6,9,14H,3,5,7H2,1H3,(H,15,16)
InChIKeyJNOYITFJWHHELF-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.52
Rot. Bonds4

About 5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one

5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one (PubChem CID 107530110) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one
PubChem CID107530110
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one
SMILESCOc1cc(NCC2CCC(=O)N2)ccc1F
InChIInChI=1S/C12H15FN2O2/c1-17-11-6-8(2-4-10(11)13)14-7-9-3-5-12(16)15-9/h2,4,6,9,14H,3,5,7H2,1H3,(H,15,16)
InChIKeyJNOYITFJWHHELF-UHFFFAOYSA-N
XLogP1.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]pyrrolidin-2-one
CID 107529260
5-[(4-chloro-3-fluoroanilino)methyl]pyrrolidin-2-one
CID 107529272
5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 107529033
5-[(3-bromo-4-chloroanilino)methyl]pyrrolidin-2-one
CID 107529688
5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one
CID 107529293
5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one
CID 171489768
N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride
CID 67609576
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-fluoro-3-methoxyaniline
CID 114839465
4-fluoro-3-methoxy-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 105022434
4-fluoro-3-methoxy-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 114839567
5-[(3-amino-5-methylanilino)methyl]pyrrolidin-2-one
CID 112647859

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one (CID 107530110) is 5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one is COc1cc(NCC2CCC(=O)N2)ccc1F.
What is the InChIKey of 5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one?
The InChIKey is JNOYITFJWHHELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-17-11-6-8(2-4-10(11)13)14-7-9-3-5-12(16)15-9/h2,4,6,9,14H,3,5,7H2,1H3,(H,15,16).
What are the key properties of 5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one?
5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one has a molecular weight of 238.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 107530110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).