(3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide

C16H19F3N2O2 — CID 95289611

IUPAC(3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESC[C@@H](CC(=O)N[C@@H]1CC(=O)N(C)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H19F3N2O2/c1-10(11-3-5-12(6-4-11)16(17,18)19)7-14(22)20-13-8-15(23)21(2)9-13/h3-6,10,13H,7-9H2,1-2H3,(H,20,22)/t10-,13+/m0/s1
InChIKeyYKCWCIDBPNFKTB-GXFFZTMASA-N
MW328.33 g/mol
LogP2.55
Rot. Bonds4

About (3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide

(3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 95289611) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is (3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID95289611
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name(3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESC[C@@H](CC(=O)N[C@@H]1CC(=O)N(C)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H19F3N2O2/c1-10(11-3-5-12(6-4-11)16(17,18)19)7-14(22)20-13-8-15(23)21(2)9-13/h3-6,10,13H,7-9H2,1-2H3,(H,20,22)/t10-,13+/m0/s1
InChIKeyYKCWCIDBPNFKTB-GXFFZTMASA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 110736478
4-[3-[4-(trifluoromethyl)phenyl]butanoylamino]cyclohexane-1-carboxylic acid
CID 119230390
2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide
CID 45241383
N-(5,6-dihydroxy-2-bicyclo[2.2.1]heptanyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 155969644
N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119603353
3-[3-[4-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221603
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110473177
4-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 119184714
tert-butyl N-[2-[3-[4-(trifluoromethyl)phenyl]butanoylamino]ethyl]carbamate
CID 71685048
3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide
CID 130585425
N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119392989

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide (CID 95289611) is (3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide is C[C@@H](CC(=O)N[C@@H]1CC(=O)N(C)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is YKCWCIDBPNFKTB-GXFFZTMASA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-10(11-3-5-12(6-4-11)16(17,18)19)7-14(22)20-13-8-15(23)21(2)9-13/h3-6,10,13H,7-9H2,1-2H3,(H,20,22)/t10-,13+/m0/s1.
What are the key properties of (3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide?
(3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 328.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 95289611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).