N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride

C12H16ClFN2O — CID 119281809

IUPACN-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1c(F)cccc1NC(=O)C1CCCN1.Cl
InChIInChI=1S/C12H15FN2O.ClH/c1-8-9(13)4-2-5-10(8)15-12(16)11-6-3-7-14-11;/h2,4-5,11,14H,3,6-7H2,1H3,(H,15,16);1H
InChIKeyDXEFEUYHLHKLHW-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.25
Rot. Bonds2

About N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride

N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119281809) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119281809
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC NameN-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1c(F)cccc1NC(=O)C1CCCN1.Cl
InChIInChI=1S/C12H15FN2O.ClH/c1-8-9(13)4-2-5-10(8)15-12(16)11-6-3-7-14-11;/h2,4-5,11,14H,3,6-7H2,1H3,(H,15,16);1H
InChIKeyDXEFEUYHLHKLHW-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 103794811
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310
N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281804
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
4-ethyl-N-(3-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 114428836
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119281807
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315216
(2S)-N-(5-cyano-3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide
CID 61178083
(2S,4S)-N-(3-fluoro-2-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620625
N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 103586065

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119281809) is N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride is Cc1c(F)cccc1NC(=O)C1CCCN1.Cl.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is DXEFEUYHLHKLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O.ClH/c1-8-9(13)4-2-5-10(8)15-12(16)11-6-3-7-14-11;/h2,4-5,11,14H,3,6-7H2,1H3,(H,15,16);1H.
What are the key properties of N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 258.72 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119281809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).