N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride

C13H17Cl2FN2O — CID 119682901

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1CCNC1.Cl
InChIInChI=1S/C13H16ClFN2O.ClH/c1-17(13(18)9-5-6-16-7-9)8-10-11(14)3-2-4-12(10)15;/h2-4,9,16H,5-8H2,1H3;1H
InChIKeyIVMXLZBCNMQGHS-UHFFFAOYSA-N
MW307.20 g/mol
LogP2.47
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride

N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119682901) has the molecular formula C13H17Cl2FN2O and a molecular weight of 307.20 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119682901
Molecular FormulaC13H17Cl2FN2O
Molecular Weight307.20 g/mol
Exact Mass306.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1CCNC1.Cl
InChIInChI=1S/C13H16ClFN2O.ClH/c1-17(13(18)9-5-6-16-7-9)8-10-11(14)3-2-4-12(10)15;/h2-4,9,16H,5-8H2,1H3;1H
InChIKeyIVMXLZBCNMQGHS-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119267724
(2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267731
(2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61165389
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119682888
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367483
(3S,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 98540400
N-[(4-chlorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005156
2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974416
9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983469
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682870
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 30278857

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119682901) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride is CN(Cc1c(F)cccc1Cl)C(=O)C1CCNC1.Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is IVMXLZBCNMQGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O.ClH/c1-17(13(18)9-5-6-16-7-9)8-10-11(14)3-2-4-12(10)15;/h2-4,9,16H,5-8H2,1H3;1H.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 307.20 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119682901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).