1-(4-chloro-3-fluorophenyl)-3-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-2-one

C16H16ClFN4O — CID 84594888

IUPAC1-(4-chloro-3-fluorophenyl)-3-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-2-one
SMILESCN(Cc1cnccn1)C1CCN(c2ccc(Cl)c(F)c2)C1=O
InChIInChI=1S/C16H16ClFN4O/c1-21(10-11-9-19-5-6-20-11)15-4-7-22(16(15)23)12-2-3-13(17)14(18)8-12/h2-3,5-6,8-9,15H,4,7,10H2,1H3
InChIKeyCVCWHXPPKXAZEQ-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.51
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-3-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-2-one

1-(4-chloro-3-fluorophenyl)-3-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-2-one (PubChem CID 84594888) has the molecular formula C16H16ClFN4O and a molecular weight of 334.78 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-2-one
PubChem CID84594888
Molecular FormulaC16H16ClFN4O
Molecular Weight334.78 g/mol
Exact Mass334.10
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-2-one
SMILESCN(Cc1cnccn1)C1CCN(c2ccc(Cl)c(F)c2)C1=O
InChIInChI=1S/C16H16ClFN4O/c1-21(10-11-9-19-5-6-20-11)15-4-7-22(16(15)23)12-2-3-13(17)14(18)8-12/h2-3,5-6,8-9,15H,4,7,10H2,1H3
InChIKeyCVCWHXPPKXAZEQ-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chloro-N-pyridin-3-ylanilino)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 76321105
CID 4964154
CID 4964154
6-(4-Chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 2825962
1-(4-Chloro-phenyl)-3-(methyl-pyridin-4-ylmethyl-amino)-pyrrolidine-2,5-dione
CID 650954
CID 2999949
CID 2999949
3-[Ethyl(pyridin-2-ylmethyl)amino]-1-phenylpyrrolidin-2-one
CID 56792013
1-(2-Chlorophenyl)-5-methyl-4-[(5-methyl-2-pyrazinyl)carbonyl]-2-piperazinone
CID 70729331
3-[Ethyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one
CID 72137290
1-[(4-Chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 118740284
1-(4-chlorophenyl)-5-methyl-4-[3-(1H-pyrrol-1-yl)propanoyl]-2-piperazinone
CID 70704402
1-(4-Chlorophenyl)-3-{[2-(pyridin-2-yl)ethyl]amino}pyrrolidine-2,5-dione
CID 3413615
2-[4-(4-Chlorophenyl)piperazin-1-YL]-N-[(pyridin-2-YL)methyl]propanamide
CID 46055856

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-2-one (CID 84594888) is 1-(4-chloro-3-fluorophenyl)-3-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-2-one is CN(Cc1cnccn1)C1CCN(c2ccc(Cl)c(F)c2)C1=O.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-2-one?
The InChIKey is CVCWHXPPKXAZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O/c1-21(10-11-9-19-5-6-20-11)15-4-7-22(16(15)23)12-2-3-13(17)14(18)8-12/h2-3,5-6,8-9,15H,4,7,10H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-2-one?
1-(4-chloro-3-fluorophenyl)-3-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-2-one has a molecular weight of 334.78 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 84594888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).