N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide

C13H18F2N2O — CID 110838253

IUPACN-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide
SMILESCNC(C)(C)CC(=O)NCc1c(F)cccc1F
InChIInChI=1S/C13H18F2N2O/c1-13(2,16-3)7-12(18)17-8-9-10(14)5-4-6-11(9)15/h4-6,16H,7-8H2,1-3H3,(H,17,18)
InChIKeyPVFMGYIUWJBEPK-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.97
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide

N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide (PubChem CID 110838253) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide
PubChem CID110838253
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide
SMILESCNC(C)(C)CC(=O)NCc1c(F)cccc1F
InChIInChI=1S/C13H18F2N2O/c1-13(2,16-3)7-12(18)17-8-9-10(14)5-4-6-11(9)15/h4-6,16H,7-8H2,1-3H3,(H,17,18)
InChIKeyPVFMGYIUWJBEPK-UHFFFAOYSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride
CID 130684116
3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide
CID 104580524
N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide
CID 164823078
N-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 110838402
N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
CID 146597480
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea
CID 155260598
N-[(2-chloro-6-fluorophenyl)methyl]-2-hydroxyacetamide
CID 82127264
methyl 2-[(2,6-difluorophenyl)methylamino]-2-methylpropanoate
CID 43725907
2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide
CID 166293058
N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide
CID 94688694
tert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate
CID 104954072

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide (CID 110838253) is N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide is CNC(C)(C)CC(=O)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide?
The InChIKey is PVFMGYIUWJBEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-13(2,16-3)7-12(18)17-8-9-10(14)5-4-6-11(9)15/h4-6,16H,7-8H2,1-3H3,(H,17,18).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide?
N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide has a molecular weight of 256.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide is sourced from PubChem (CID 110838253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).