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

C11H12ClF3N2O — CID 119708015

IUPACN-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(F)c(F)c(F)c1)C1CCNC1
InChIInChI=1S/C11H11F3N2O.ClH/c12-8-3-7(4-9(13)10(8)14)16-11(17)6-1-2-15-5-6;/h3-4,6,15H,1-2,5H2,(H,16,17);1H
InChIKeySIZOYGCVQPFFBY-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.07
Rot. Bonds2

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

N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119708015) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119708015
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC NameN-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(F)c(F)c(F)c1)C1CCNC1
InChIInChI=1S/C11H11F3N2O.ClH/c12-8-3-7(4-9(13)10(8)14)16-11(17)6-1-2-15-5-6;/h3-4,6,15H,1-2,5H2,(H,16,17);1H
InChIKeySIZOYGCVQPFFBY-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_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768
N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708623
N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
CID 107365750
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide
CID 119312519
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007085
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
(2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119707989
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119708015) is N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cc(F)c(F)c(F)c1)C1CCNC1.
What is the InChIKey of N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is SIZOYGCVQPFFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O.ClH/c12-8-3-7(4-9(13)10(8)14)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-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(3,4,5-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-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119708015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).