3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one

C11H10ClF3N2O — CID 116700143

IUPAC3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESNC1CCN(c2cc(Cl)cc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C11H10ClF3N2O/c12-7-3-6(11(13,14)15)4-8(5-7)17-2-1-9(16)10(17)18/h3-5,9H,1-2,16H2
InChIKeySQWNGEPLBGZWTF-UHFFFAOYSA-N
MW278.66 g/mol
LogP2.42
Rot. Bonds1

About 3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one

3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 116700143) has the molecular formula C11H10ClF3N2O and a molecular weight of 278.66 g/mol. Its IUPAC name is 3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID116700143
Molecular FormulaC11H10ClF3N2O
Molecular Weight278.66 g/mol
Exact Mass278.04
IUPAC Name3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESNC1CCN(c2cc(Cl)cc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C11H10ClF3N2O/c12-7-3-6(11(13,14)15)4-8(5-7)17-2-1-9(16)10(17)18/h3-5,9H,1-2,16H2
InChIKeySQWNGEPLBGZWTF-UHFFFAOYSA-N
XLogP2.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]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

3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 63667119
(3R)-3-amino-1-(4-chlorophenyl)pyrrolidin-2-one
CID 58714338
3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one
CID 107579725
1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698246
4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 65483019
3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 19710959
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine
CID 116700925
1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 116700364
1-[3-bromo-5-(trifluoromethyl)phenyl]-3-(methylamino)pyrrolidin-2-one
CID 65489048
1-[3-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 22345195
3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one
CID 107371241
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 116700143) is 3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one is NC1CCN(c2cc(Cl)cc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is SQWNGEPLBGZWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O/c12-7-3-6(11(13,14)15)4-8(5-7)17-2-1-9(16)10(17)18/h3-5,9H,1-2,16H2.
What are the key properties of 3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 278.66 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 116700143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).