4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one

C12H14ClFN2O — CID 168660373

IUPAC4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(Cc2cccc(Cl)c2F)C1
InChIInChI=1S/C12H14ClFN2O/c13-10-3-1-2-9(12(10)14)7-16-6-8(5-15)4-11(16)17/h1-3,8H,4-7,15H2
InChIKeyVQQIWJSUFUODRZ-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.79
Rot. Bonds3

About 4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one

4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 168660373) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one
PubChem CID168660373
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(Cc2cccc(Cl)c2F)C1
InChIInChI=1S/C12H14ClFN2O/c13-10-3-1-2-9(12(10)14)7-16-6-8(5-15)4-11(16)17/h1-3,8H,4-7,15H2
InChIKeyVQQIWJSUFUODRZ-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-2-fluorophenyl)methyl]-4-ethenylpyrrolidin-2-one
CID 168685468
4-(aminomethyl)-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64695007
1-[(2-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)pyrrolidin-2-one
CID 168508474
1-[(2,3-dichlorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663225
4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 71683623
4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168660240
1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192525
4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
CID 168660327
1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718393
4-(aminomethyl)-1-benzylpyrrolidin-2-one;2,3-dihydroxybutanedioic acid
CID 14129465
4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64693717
1-[(3-chloro-2-fluorophenyl)methyl]-4-(chloromethyl)piperidine
CID 102859725

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one (CID 168660373) is 4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one is NCC1CC(=O)N(Cc2cccc(Cl)c2F)C1.
What is the InChIKey of 4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is VQQIWJSUFUODRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-10-3-1-2-9(12(10)14)7-16-6-8(5-15)4-11(16)17/h1-3,8H,4-7,15H2.
What are the key properties of 4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 256.71 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168660373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).