N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride

C12H17ClN2O2 — CID 119670539

IUPACN-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccccc1NC(=O)C1CCNC1.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-16-11-5-3-2-4-10(11)14-12(15)9-6-7-13-8-9;/h2-5,9,13H,6-8H2,1H3,(H,14,15);1H
InChIKeyPGDDVZFIJKZKCR-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.66
Rot. Bonds3

About N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride

N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119670539) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119670539
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccccc1NC(=O)C1CCNC1.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-16-11-5-3-2-4-10(11)14-12(15)9-6-7-13-8-9;/h2-5,9,13H,6-8H2,1H3,(H,14,15);1H
InChIKeyPGDDVZFIJKZKCR-UHFFFAOYSA-N
XLogP1.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119761624
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119713245
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119778132
methyl 4,5-dimethoxy-2-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119677781
N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 63007363
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755
N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119708664
N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 63007076
N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119284707
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119670539) is N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride is COc1ccccc1NC(=O)C1CCNC1.Cl.
What is the InChIKey of N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is PGDDVZFIJKZKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c1-16-11-5-3-2-4-10(11)14-12(15)9-6-7-13-8-9;/h2-5,9,13H,6-8H2,1H3,(H,14,15);1H.
What are the key properties of N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119670539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).