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

C11H10ClF3N2O — CID 63667119

IUPAC3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESNC1CCN(c2ccc(C(F)(F)F)cc2Cl)C1=O
InChIInChI=1S/C11H10ClF3N2O/c12-7-5-6(11(13,14)15)1-2-9(7)17-4-3-8(16)10(17)18/h1-2,5,8H,3-4,16H2
InChIKeyIUSHWSTXAJLZQQ-UHFFFAOYSA-N
MW278.66 g/mol
LogP2.42
Rot. Bonds1

About 3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one

3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 63667119) has the molecular formula C11H10ClF3N2O and a molecular weight of 278.66 g/mol. Its IUPAC name is 3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID63667119
Molecular FormulaC11H10ClF3N2O
Molecular Weight278.66 g/mol
Exact Mass278.04
IUPAC Name3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESNC1CCN(c2ccc(C(F)(F)F)cc2Cl)C1=O
InChIInChI=1S/C11H10ClF3N2O/c12-7-5-6(11(13,14)15)1-2-9(7)17-4-3-8(16)10(17)18/h1-2,5,8H,3-4,16H2
InChIKeyIUSHWSTXAJLZQQ-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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Related Compounds

(3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one
CID 94237135
(3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one
CID 11128620
3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 116700143
3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one
CID 66477583
1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione
CID 79515454
1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide
CID 90840814
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-ethylpiperazine-2,5-dione
CID 64971404
1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 71955816
4-(bromomethyl)-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168505671
1-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethynylpyrrolidin-2-one
CID 168502351
1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956068
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-4-one
CID 63668791

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 63667119) is 3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one is NC1CCN(c2ccc(C(F)(F)F)cc2Cl)C1=O.
What is the InChIKey of 3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is IUSHWSTXAJLZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O/c12-7-5-6(11(13,14)15)1-2-9(7)17-4-3-8(16)10(17)18/h1-2,5,8H,3-4,16H2.
What are the key properties of 3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
3-amino-1-[2-chloro-4-(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-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 63667119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).