N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide

C11H12ClFN2O — CID 63007340

IUPACN-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1F)C1CCNC1
InChIInChI=1S/C11H12ClFN2O/c12-8-1-2-9(13)10(5-8)15-11(16)7-3-4-14-6-7/h1-2,5,7,14H,3-4,6H2,(H,15,16)
InChIKeyJAGWKTBUYJQPNG-UHFFFAOYSA-N
MW242.68 g/mol
LogP2.03
Rot. Bonds2

About N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide

N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide (PubChem CID 63007340) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
PubChem CID63007340
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC NameN-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1F)C1CCNC1
InChIInChI=1S/C11H12ClFN2O/c12-8-1-2-9(13)10(5-8)15-11(16)7-3-4-14-6-7/h1-2,5,7,14H,3-4,6H2,(H,15,16)
InChIKeyJAGWKTBUYJQPNG-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708623
methyl 4-fluoro-3-(pyrrolidine-3-carbonylamino)benzoate
CID 63007212
N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119776589
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide
CID 63005433
N-(2-fluoro-5-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119264146
N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 115159517
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
3-fluoro-4-(pyrrolidine-3-carbonylamino)benzoic acid
CID 63188319

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide (CID 63007340) is N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1F)C1CCNC1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is JAGWKTBUYJQPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-8-1-2-9(13)10(5-8)15-11(16)7-3-4-14-6-7/h1-2,5,7,14H,3-4,6H2,(H,15,16).
What are the key properties of N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide?
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 242.68 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63007340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).