1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone

C15H14F2N2O — CID 62051422

IUPAC1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1c(F)cccc1F)Cc1ccccn1
InChIInChI=1S/C15H14F2N2O/c1-19(9-11-5-2-3-8-18-11)10-14(20)15-12(16)6-4-7-13(15)17/h2-8H,9-10H2,1H3
InChIKeySVDTUHSOCXIXSN-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.67
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone

1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone (PubChem CID 62051422) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
PubChem CID62051422
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1c(F)cccc1F)Cc1ccccn1
InChIInChI=1S/C15H14F2N2O/c1-19(9-11-5-2-3-8-18-11)10-14(20)15-12(16)6-4-7-13(15)17/h2-8H,9-10H2,1H3
InChIKeySVDTUHSOCXIXSN-UHFFFAOYSA-N
XLogP2.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 115678696
1-(3-chlorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62052783
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474
1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
CID 62043779
2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62052007
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 79522521
2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid
CID 62270659
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
1-cyclohexyl-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 104750407
3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47456776

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone (CID 62051422) is 1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone is CN(CC(=O)c1c(F)cccc1F)Cc1ccccn1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?
The InChIKey is SVDTUHSOCXIXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-19(9-11-5-2-3-8-18-11)10-14(20)15-12(16)6-4-7-13(15)17/h2-8H,9-10H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?
1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone has a molecular weight of 276.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 62051422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).