N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride

C11H12ClF3N2O — CID 119708623

IUPACN-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(F)c(F)cc1F)C1CCNC1
InChIInChI=1S/C11H11F3N2O.ClH/c12-7-3-9(14)10(4-8(7)13)16-11(17)6-1-2-15-5-6;/h3-4,6,15H,1-2,5H2,(H,16,17);1H
InChIKeyJMXPCIOKOAFHGV-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.07
Rot. Bonds2

About N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride

N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119708623) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119708623
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC NameN-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(F)c(F)cc1F)C1CCNC1
InChIInChI=1S/C11H11F3N2O.ClH/c12-7-3-9(14)10(4-8(7)13)16-11(17)6-1-2-15-5-6;/h3-4,6,15H,1-2,5H2,(H,16,17);1H
InChIKeyJMXPCIOKOAFHGV-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119778132
methyl 2,4-difluoro-5-(pyrrolidine-3-carbonylamino)benzoate
CID 63006548
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119673458
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
3-fluoro-4-(pyrrolidine-3-carbonylamino)benzoic acid
CID 63188319
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708015
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
N-(2-fluoro-5-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119264146
methyl 4-fluoro-3-(pyrrolidine-3-carbonylamino)benzoate
CID 63007212
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786

Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119708623) is N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cc(F)c(F)cc1F)C1CCNC1.
What is the InChIKey of N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is JMXPCIOKOAFHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O.ClH/c12-7-3-9(14)10(4-8(7)13)16-11(17)6-1-2-15-5-6;/h3-4,6,15H,1-2,5H2,(H,16,17);1H.
What are the key properties of N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 280.68 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119708623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).