(4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one

C13H16ClFN2O — CID 95359014

IUPAC(4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C(=O)C[C@@H](N)[C@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H16ClFN2O/c1-7(2)17-12(18)6-11(16)13(17)8-3-4-9(14)10(15)5-8/h3-5,7,11,13H,6,16H2,1-2H3/t11-,13-/m1/s1
InChIKeyXPYVBZZIJCQOMY-DGCLKSJQSA-N
MW270.74 g/mol
LogP2.49
Rot. Bonds2

About (4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one

(4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 95359014) has the molecular formula C13H16ClFN2O and a molecular weight of 270.74 g/mol. Its IUPAC name is (4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID95359014
Molecular FormulaC13H16ClFN2O
Molecular Weight270.74 g/mol
Exact Mass270.09
IUPAC Name(4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C(=O)C[C@@H](N)[C@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H16ClFN2O/c1-7(2)17-12(18)6-11(16)13(17)8-3-4-9(14)10(15)5-8/h3-5,7,11,13H,6,16H2,1-2H3/t11-,13-/m1/s1
InChIKeyXPYVBZZIJCQOMY-DGCLKSJQSA-N
XLogP2.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-2-one
CID 95328761
(2S,3R)-2-(4-chloro-3-fluorophenyl)-N-ethoxy-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 97337022
(4R,5S)-4-amino-5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 95359023
(2S,3S)-2-(4-chloro-3-fluorophenyl)-N-(cyanomethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 97337062
(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 124526744
(4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 178192247
2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 146147768
(2R,3S)-2-(4-chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 95358867
4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 82193066
5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile
CID 107936927
2-(3-chloro-4-fluorophenyl)-6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid
CID 81160397
4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one
CID 113469903

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one (CID 95359014) is (4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1C(=O)C[C@@H](N)[C@H]1c1ccc(Cl)c(F)c1.
What is the InChIKey of (4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is XPYVBZZIJCQOMY-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-7(2)17-12(18)6-11(16)13(17)8-3-4-9(14)10(15)5-8/h3-5,7,11,13H,6,16H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of (4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one?
(4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 270.74 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 95359014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).