4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one

C11H12ClFN2O — CID 168699685

IUPAC4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CC(N)CC2=O)c(Cl)cc1F
InChIInChI=1S/C11H12ClFN2O/c1-6-2-10(8(12)4-9(6)13)15-5-7(14)3-11(15)16/h2,4,7H,3,5,14H2,1H3
InChIKeyBVWNOFKNLPLETN-UHFFFAOYSA-N
MW242.68 g/mol
LogP1.85
Rot. Bonds1

About 4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one

4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one (PubChem CID 168699685) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is 4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
PubChem CID168699685
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CC(N)CC2=O)c(Cl)cc1F
InChIInChI=1S/C11H12ClFN2O/c1-6-2-10(8(12)4-9(6)13)15-5-7(14)3-11(15)16/h2,4,7H,3,5,14H2,1H3
InChIKeyBVWNOFKNLPLETN-UHFFFAOYSA-N
XLogP1.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168687983
4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one
CID 168700400
4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 62813427
4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 43521142
4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521028
4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one
CID 168701038
1-(2-chloro-4,5-difluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709794
1-(2-chloro-4,5-difluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168502070
4-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 66476045
4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one
CID 83531050
methyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-difluorobenzoate
CID 168699418
[1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673228

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one (CID 168699685) is 4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one is Cc1cc(N2CC(N)CC2=O)c(Cl)cc1F.
What is the InChIKey of 4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one?
The InChIKey is BVWNOFKNLPLETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c1-6-2-10(8(12)4-9(6)13)15-5-7(14)3-11(15)16/h2,4,7H,3,5,14H2,1H3.
What are the key properties of 4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one?
4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one has a molecular weight of 242.68 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168699685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).