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

C11H10ClF3N2O — CID 43521028

IUPAC4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1
InChIInChI=1S/C11H10ClF3N2O/c12-8-2-1-6(11(13,14)15)3-9(8)17-5-7(16)4-10(17)18/h1-3,7H,4-5,16H2
InChIKeyLKPDMIJKCIHXHP-UHFFFAOYSA-N
MW278.66 g/mol
LogP2.42
Rot. Bonds1

About 4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one

4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 43521028) has the molecular formula C11H10ClF3N2O and a molecular weight of 278.66 g/mol. Its IUPAC name is 4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID43521028
Molecular FormulaC11H10ClF3N2O
Molecular Weight278.66 g/mol
Exact Mass278.04
IUPAC Name4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1
InChIInChI=1S/C11H10ClF3N2O/c12-8-2-1-6(11(13,14)15)3-9(8)17-5-7(16)4-10(17)18/h1-3,7H,4-5,16H2
InChIKeyLKPDMIJKCIHXHP-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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 43521028) is 4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one is NC1CC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1.
What is the InChIKey of 4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is LKPDMIJKCIHXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O/c12-8-2-1-6(11(13,14)15)3-9(8)17-5-7(16)4-10(17)18/h1-3,7H,4-5,16H2.
What are the key properties of 4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-amino-1-[2-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 4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43521028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).