2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]-N-methylpropanamide

C13H18F2N2O2 — CID 50950819

IUPAC2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(C)Cc1ccccc1OC(F)F
InChIInChI=1S/C13H18F2N2O2/c1-9(12(18)16-2)17(3)8-10-6-4-5-7-11(10)19-13(14)15/h4-7,9,13H,8H2,1-3H3,(H,16,18)
InChIKeyXROUVCMMCZMAPY-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.85
Rot. Bonds6

About 2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]-N-methylpropanamide

2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]-N-methylpropanamide (PubChem CID 50950819) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]-N-methylpropanamide
PubChem CID50950819
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(C)Cc1ccccc1OC(F)F
InChIInChI=1S/C13H18F2N2O2/c1-9(12(18)16-2)17(3)8-10-6-4-5-7-11(10)19-13(14)15/h4-7,9,13H,8H2,1-3H3,(H,16,18)
InChIKeyXROUVCMMCZMAPY-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Safinamide
CID 131682
Priralfinamide
CID 5745207
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxyphenyl)methyl)amino)-6-methyl-
CID 454348
2(1H)-Pyridinone, 3-(((2-ethoxyphenyl)methyl)amino)-5-ethyl-6-methyl-
CID 454350
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407
(2-Difluoromethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 9945487
2-(S)-Amino-4-(2-benzyloxy-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11383468
N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4797003
2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 4883663
N-(2-Methoxy-benzyl)-3-methyl-butyramide
CID 842661
N-[(2-methoxyphenyl)methyl]-2-methylpentanamide
CID 2890938
(S)-N-(2-phenoxybenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11709831

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]-N-methylpropanamide?
The IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]-N-methylpropanamide (CID 50950819) is 2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]-N-methylpropanamide is CNC(=O)C(C)N(C)Cc1ccccc1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]-N-methylpropanamide?
The InChIKey is XROUVCMMCZMAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-9(12(18)16-2)17(3)8-10-6-4-5-7-11(10)19-13(14)15/h4-7,9,13H,8H2,1-3H3,(H,16,18).
What are the key properties of 2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]-N-methylpropanamide?
2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]-N-methylpropanamide has a molecular weight of 272.30 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 50950819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).