(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide

C14H18ClFN2O — CID 93367483

IUPAC(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCCCN1
InChIInChI=1S/C14H18ClFN2O/c1-18(14(19)13-7-2-3-8-17-13)9-10-11(15)5-4-6-12(10)16/h4-6,13,17H,2-3,7-9H2,1H3/t13-/m1/s1
InChIKeyBMUCBTURNQZJCZ-CYBMUJFWSA-N
MW284.76 g/mol
LogP2.58
Rot. Bonds3

About (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide

(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 93367483) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID93367483
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCCCN1
InChIInChI=1S/C14H18ClFN2O/c1-18(14(19)13-7-2-3-8-17-13)9-10-11(15)5-4-6-12(10)16/h4-6,13,17H,2-3,7-9H2,1H3/t13-/m1/s1
InChIKeyBMUCBTURNQZJCZ-CYBMUJFWSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61165389
(2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267731
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119267602
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119682901
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119267724
N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 42890905
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765
(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93369186
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 119314243
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974416

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide (CID 93367483) is (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is BMUCBTURNQZJCZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-18(14(19)13-7-2-3-8-17-13)9-10-11(15)5-4-6-12(10)16/h4-6,13,17H,2-3,7-9H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 284.76 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 93367483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).