2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride

C11H12ClF3N2O — CID 119451891

IUPAC2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H11F3N2O.ClH/c12-8-2-1-7(9(13)10(8)14)11(17)16-6-3-4-15-5-6;/h1-2,6,15H,3-5H2,(H,16,17);1H
InChIKeyZWBQGLKXGYOYHW-UHFFFAOYSA-N
MW280.68 g/mol
LogP1.62
Rot. Bonds2

About 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride

2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119451891) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119451891
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H11F3N2O.ClH/c12-8-2-1-7(9(13)10(8)14)11(17)16-6-3-4-15-5-6;/h1-2,6,15H,3-5H2,(H,16,17);1H
InChIKeyZWBQGLKXGYOYHW-UHFFFAOYSA-N
XLogP1.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79749815
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 174879133
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79749208
2,3,4-trifluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564595
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119451891) is 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNC1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is ZWBQGLKXGYOYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O.ClH/c12-8-2-1-7(9(13)10(8)14)11(17)16-6-3-4-15-5-6;/h1-2,6,15H,3-5H2,(H,16,17);1H.
What are the key properties of 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride?
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 280.68 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119451891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).