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

C12H16F2N2O — CID 110838402

IUPACN-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C12H16F2N2O/c1-8(6-15-2)12(17)16-7-9-10(13)4-3-5-11(9)14/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyQEKWRUNHDNZFBE-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.44
Rot. Bonds5

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

N-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 110838402) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide
PubChem CID110838402
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C12H16F2N2O/c1-8(6-15-2)12(17)16-7-9-10(13)4-3-5-11(9)14/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyQEKWRUNHDNZFBE-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(methylamino)-N-(naphthalen-1-ylmethyl)propanamide;hydrochloride
CID 119709567
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697509
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81486845
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706350
2-methyl-3-(methylamino)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 119744421
N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
CID 119734831
N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide
CID 164823078
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731459
N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide
CID 110838253
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119803793
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119689663

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide (CID 110838402) is N-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is QEKWRUNHDNZFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8(6-15-2)12(17)16-7-9-10(13)4-3-5-11(9)14/h3-5,8,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide?
N-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 242.27 g/mol, XLogP of 1.44, 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]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 110838402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).