N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride

C14H19Cl2FN2O — CID 119267724

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1CCNCC1.Cl
InChIInChI=1S/C14H18ClFN2O.ClH/c1-18(14(19)10-5-7-17-8-6-10)9-11-12(15)3-2-4-13(11)16;/h2-4,10,17H,5-9H2,1H3;1H
InChIKeyKRIFNFOYGKSCSU-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.86
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride

N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119267724) has the molecular formula C14H19Cl2FN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID119267724
Molecular FormulaC14H19Cl2FN2O
Molecular Weight321.22 g/mol
Exact Mass320.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1CCNCC1.Cl
InChIInChI=1S/C14H18ClFN2O.ClH/c1-18(14(19)10-5-7-17-8-6-10)9-11-12(15)3-2-4-13(11)16;/h2-4,10,17H,5-9H2,1H3;1H
InChIKeyKRIFNFOYGKSCSU-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119682901
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119682888
(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
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367483
2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974416
(3S,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 98540400
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]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 30278857
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 31287206

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride (CID 119267724) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride is CN(Cc1c(F)cccc1Cl)C(=O)C1CCNCC1.Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is KRIFNFOYGKSCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O.ClH/c1-18(14(19)10-5-7-17-8-6-10)9-11-12(15)3-2-4-13(11)16;/h2-4,10,17H,5-9H2,1H3;1H.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 321.22 g/mol, XLogP of 2.86, 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-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119267724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).