6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide

C14H20ClFN2O — CID 54869007

IUPAC6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCCCCN
InChIInChI=1S/C14H20ClFN2O/c1-18(14(19)8-3-2-4-9-17)10-11-12(15)6-5-7-13(11)16/h5-7H,2-4,8-10,17H2,1H3
InChIKeyCMCBJXGRNICGRG-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.96
Rot. Bonds7

About 6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide

6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide (PubChem CID 54869007) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
PubChem CID54869007
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCCCCN
InChIInChI=1S/C14H20ClFN2O/c1-18(14(19)8-3-2-4-9-17)10-11-12(15)6-5-7-13(11)16/h5-7H,2-4,8-10,17H2,1H3
InChIKeyCMCBJXGRNICGRG-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride
CID 119682648
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 60936879
7-amino-1-(2-chloro-6-fluorophenyl)heptan-2-one
CID 116549930
2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 61115408
N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 94393869
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267721
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 61165388

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide?
The IUPAC name of 6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide (CID 54869007) is 6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide.
What is the SMILES notation for 6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide?
The canonical SMILES for 6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide is CN(Cc1c(F)cccc1Cl)C(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide?
The InChIKey is CMCBJXGRNICGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-18(14(19)8-3-2-4-9-17)10-11-12(15)6-5-7-13(11)16/h5-7H,2-4,8-10,17H2,1H3.
What are the key properties of 6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide?
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide has a molecular weight of 286.78 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide is sourced from PubChem (CID 54869007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).