4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide

C17H21F3N2O2 — CID 99926183

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESC[C@@H](NC(=O)CCCN1CCCC1=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H21F3N2O2/c1-12(13-6-2-3-7-14(13)17(18,19)20)21-15(23)8-4-10-22-11-5-9-16(22)24/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,21,23)/t12-/m1/s1
InChIKeyLDLDBZRVYNDGPW-GFCCVEGCSA-N
MW342.36 g/mol
LogP3.29
Rot. Bonds6

About 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide

4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide (PubChem CID 99926183) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide
PubChem CID99926183
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESC[C@@H](NC(=O)CCCN1CCCC1=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H21F3N2O2/c1-12(13-6-2-3-7-14(13)17(18,19)20)21-15(23)8-4-10-22-11-5-9-16(22)24/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,21,23)/t12-/m1/s1
InChIKeyLDLDBZRVYNDGPW-GFCCVEGCSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131949482
N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 131890638
N-[(1R)-2-methyl-1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 95352258
N-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 74246576
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31321499
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 124755565
N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide
CID 131945632
2-(2-oxoazepan-1-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41074693
1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 167747797
3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 154775116
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689940
1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide (CID 99926183) is 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide is C[C@@H](NC(=O)CCCN1CCCC1=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide?
The InChIKey is LDLDBZRVYNDGPW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-12(13-6-2-3-7-14(13)17(18,19)20)21-15(23)8-4-10-22-11-5-9-16(22)24/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,21,23)/t12-/m1/s1.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide?
4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide has a molecular weight of 342.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 99926183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).