4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one

C12H15FN2O — CID 106184275

IUPAC4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one
SMILESCc1cc(CNC2CNC(=O)C2)ccc1F
InChIInChI=1S/C12H15FN2O/c1-8-4-9(2-3-11(8)13)6-14-10-5-12(16)15-7-10/h2-4,10,14H,5-7H2,1H3,(H,15,16)
InChIKeyLDZGAYDSSNYGBD-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.11
Rot. Bonds3

About 4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one

4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one (PubChem CID 106184275) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one
PubChem CID106184275
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one
SMILESCc1cc(CNC2CNC(=O)C2)ccc1F
InChIInChI=1S/C12H15FN2O/c1-8-4-9(2-3-11(8)13)6-14-10-5-12(16)15-7-10/h2-4,10,14H,5-7H2,1H3,(H,15,16)
InChIKeyLDZGAYDSSNYGBD-UHFFFAOYSA-N
XLogP1.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one
CID 63661374
4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one
CID 106183258
4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one
CID 106182577
4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one
CID 106189605
4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one
CID 106181631
4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
CID 63453712
N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56714946
4-[(3-nitrophenyl)methylamino]pyrrolidin-2-one
CID 114155136
5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 106190673
3-fluoro-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]benzonitrile
CID 114155898
4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one
CID 130681741
4-[(3,5-dibromo-4-ethoxyphenyl)methylamino]pyrrolidin-2-one
CID 106184541

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one (CID 106184275) is 4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one is Cc1cc(CNC2CNC(=O)C2)ccc1F.
What is the InChIKey of 4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one?
The InChIKey is LDZGAYDSSNYGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8-4-9(2-3-11(8)13)6-14-10-5-12(16)15-7-10/h2-4,10,14H,5-7H2,1H3,(H,15,16).
What are the key properties of 4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one?
4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one has a molecular weight of 222.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106184275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).