N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide

C15H17F3N2O2 — CID 110736909

IUPACN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide
SMILESCC(C)(C)N1CC(NC(=O)c2ccc(F)c(F)c2F)CC1=O
InChIInChI=1S/C15H17F3N2O2/c1-15(2,3)20-7-8(6-11(20)21)19-14(22)9-4-5-10(16)13(18)12(9)17/h4-5,8H,6-7H2,1-3H3,(H,19,22)
InChIKeyFGHBVRCQBYQTTK-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.23
Rot. Bonds2

About N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide (PubChem CID 110736909) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide
PubChem CID110736909
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide
SMILESCC(C)(C)N1CC(NC(=O)c2ccc(F)c(F)c2F)CC1=O
InChIInChI=1S/C15H17F3N2O2/c1-15(2,3)20-7-8(6-11(20)21)19-14(22)9-4-5-10(16)13(18)12(9)17/h4-5,8H,6-7H2,1-3H3,(H,19,22)
InChIKeyFGHBVRCQBYQTTK-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 110736815
2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride
CID 119945951
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79749208
2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79749815
4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide
CID 119343413
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide
CID 110736931
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451891
4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide;hydrochloride
CID 119343412
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
CID 110736936
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
CID 110736947
3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide
CID 110746066
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pentanamide
CID 110736860

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide?
The IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide (CID 110736909) is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide?
The canonical SMILES for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide is CC(C)(C)N1CC(NC(=O)c2ccc(F)c(F)c2F)CC1=O.
What is the InChIKey of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide?
The InChIKey is FGHBVRCQBYQTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-15(2,3)20-7-8(6-11(20)21)19-14(22)9-4-5-10(16)13(18)12(9)17/h4-5,8H,6-7H2,1-3H3,(H,19,22).
What are the key properties of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide?
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide has a molecular weight of 314.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide is sourced from PubChem (CID 110736909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).