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

C13H18ClFN2O3 — CID 119778132

IUPACN-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1cc(F)c(NC(=O)C2CCNC2)cc1OC.Cl
InChIInChI=1S/C13H17FN2O3.ClH/c1-18-11-5-9(14)10(6-12(11)19-2)16-13(17)8-3-4-15-7-8;/h5-6,8,15H,3-4,7H2,1-2H3,(H,16,17);1H
InChIKeyGRSNBTURDCEASK-UHFFFAOYSA-N
MW304.75 g/mol
LogP1.81
Rot. Bonds4

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

N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119778132) has the molecular formula C13H18ClFN2O3 and a molecular weight of 304.75 g/mol. Its IUPAC name is N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119778132
Molecular FormulaC13H18ClFN2O3
Molecular Weight304.75 g/mol
Exact Mass304.10
IUPAC NameN-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1cc(F)c(NC(=O)C2CCNC2)cc1OC.Cl
InChIInChI=1S/C13H17FN2O3.ClH/c1-18-11-5-9(14)10(6-12(11)19-2)16-13(17)8-3-4-15-7-8;/h5-6,8,15H,3-4,7H2,1-2H3,(H,16,17);1H
InChIKeyGRSNBTURDCEASK-UHFFFAOYSA-N
XLogP1.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708623
methyl 4,5-dimethoxy-2-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119677781
N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide
CID 115158683
(2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631536
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 119336082
methyl 2,4-difluoro-5-(pyrrolidine-3-carbonylamino)benzoate
CID 63006548
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119785388
methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride
CID 119265013
N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119761624
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119778132) is N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride is COc1cc(F)c(NC(=O)C2CCNC2)cc1OC.Cl.
What is the InChIKey of N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is GRSNBTURDCEASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3.ClH/c1-18-11-5-9(14)10(6-12(11)19-2)16-13(17)8-3-4-15-7-8;/h5-6,8,15H,3-4,7H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 304.75 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119778132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).