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

C11H10F3IN2O — CID 168700723

IUPAC4-amino-1-[2-iodo-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(C(F)(F)F)cc2I)C1
InChIInChI=1S/C11H10F3IN2O/c12-11(13,14)6-1-2-9(8(15)3-6)17-5-7(16)4-10(17)18/h1-3,7H,4-5,16H2
InChIKeyBBEBRJPECGNKBU-UHFFFAOYSA-N
MW370.11 g/mol
LogP2.37
Rot. Bonds1

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

4-amino-1-[2-iodo-4-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 168700723) has the molecular formula C11H10F3IN2O and a molecular weight of 370.11 g/mol. Its IUPAC name is 4-amino-1-[2-iodo-4-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-iodo-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID168700723
Molecular FormulaC11H10F3IN2O
Molecular Weight370.11 g/mol
Exact Mass369.98
IUPAC Name4-amino-1-[2-iodo-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(C(F)(F)F)cc2I)C1
InChIInChI=1S/C11H10F3IN2O/c12-11(13,14)6-1-2-9(8(15)3-6)17-5-7(16)4-10(17)18/h1-3,7H,4-5,16H2
InChIKeyBBEBRJPECGNKBU-UHFFFAOYSA-N
XLogP2.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.11
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 66476045
4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521028
4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521061
4-(bromomethyl)-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168505671
1-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671674
4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 43521142
4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 168699736
1-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethynylpyrrolidin-2-one
CID 168502351
4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168700882
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 168505670
1-[2-cyano-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carbonitrile
CID 115911729
1-[2-bromo-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712545

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-iodo-4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[2-iodo-4-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 168700723) is 4-amino-1-[2-iodo-4-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[2-iodo-4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[2-iodo-4-(trifluoromethyl)phenyl]pyrrolidin-2-one is NC1CC(=O)N(c2ccc(C(F)(F)F)cc2I)C1.
What is the InChIKey of 4-amino-1-[2-iodo-4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is BBEBRJPECGNKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3IN2O/c12-11(13,14)6-1-2-9(8(15)3-6)17-5-7(16)4-10(17)18/h1-3,7H,4-5,16H2.
What are the key properties of 4-amino-1-[2-iodo-4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-amino-1-[2-iodo-4-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 370.11 g/mol, XLogP of 2.37, 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-iodo-4-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168700723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).