N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide

C13H18F2N2O — CID 62637683

IUPACN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
SMILESCNC(C)C(=O)N(C)C(C)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O/c1-8(16-3)13(18)17(4)9(2)11-7-10(14)5-6-12(11)15/h5-9,16H,1-4H3
InChIKeyZYWWGIAAMWYYJP-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.09
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide

N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide (PubChem CID 62637683) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
PubChem CID62637683
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
SMILESCNC(C)C(=O)N(C)C(C)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O/c1-8(16-3)13(18)17(4)9(2)11-7-10(14)5-6-12(11)15/h5-9,16H,1-4H3
InChIKeyZYWWGIAAMWYYJP-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide
CID 87040432
3-[1-(2,5-difluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049111
N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62726518
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 55097238
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119717498
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788857
N-[1-(2,5-difluorophenyl)ethyl]-N-methylhexanamide
CID 86925812
2,2,2-trifluoroethyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
CID 61067667
1-[(1R)-1-(2,5-difluorophenyl)ethyl]-1-methyl-3-(1,3,4-thiadiazol-2-yl)urea
CID 94031771
N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645773
N-(4-fluorophenyl)-N-methyl-2-(methylamino)propanamide
CID 62639733
cis-(1S,3R)-3-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 129466151

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide (CID 62637683) is N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide is CNC(C)C(=O)N(C)C(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide?
The InChIKey is ZYWWGIAAMWYYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8(16-3)13(18)17(4)9(2)11-7-10(14)5-6-12(11)15/h5-9,16H,1-4H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide?
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide has a molecular weight of 256.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 62637683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).