N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide

C15H16ClF3N2O2 — CID 45222736

IUPACN-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NC1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C15H16ClF3N2O2/c16-12-4-2-1-3-10(12)8-21-9-11(7-14(21)23)20-13(22)5-6-15(17,18)19/h1-4,11H,5-9H2,(H,20,22)
InChIKeyZBEFSXFNTCISKC-UHFFFAOYSA-N
MW348.75 g/mol
LogP2.90
Rot. Bonds5

About N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide

N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide (PubChem CID 45222736) has the molecular formula C15H16ClF3N2O2 and a molecular weight of 348.75 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
PubChem CID45222736
Molecular FormulaC15H16ClF3N2O2
Molecular Weight348.75 g/mol
Exact Mass348.09
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NC1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C15H16ClF3N2O2/c16-12-4-2-1-3-10(12)8-21-9-11(7-14(21)23)20-13(22)5-6-15(17,18)19/h1-4,11H,5-9H2,(H,20,22)
InChIKeyZBEFSXFNTCISKC-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]but-3-enamide
CID 42395266
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42394735
3-methylsulfanyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide
CID 42511312
2-hydroxy-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 56913627
methyl 4-oxo-4-[[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]butanoate
CID 42304554
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 45187441
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
CID 42455012
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333935
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333932
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 45177959
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide
CID 95709758
2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 25382394

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide (CID 45222736) is N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)NC1CC(=O)N(Cc2ccccc2Cl)C1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The InChIKey is ZBEFSXFNTCISKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O2/c16-12-4-2-1-3-10(12)8-21-9-11(7-14(21)23)20-13(22)5-6-15(17,18)19/h1-4,11H,5-9H2,(H,20,22).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide has a molecular weight of 348.75 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 45222736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).