N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide

C13H18F2N2O — CID 79195587

IUPACN-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O/c1-8(7-16-3)13(18)17-9(2)11-6-10(14)4-5-12(11)15/h4-6,8-9,16H,7H2,1-3H3,(H,17,18)
InChIKeyQXVWFXIRKQHOFA-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.00
Rot. Bonds5

About N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide

N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 79195587) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
PubChem CID79195587
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O/c1-8(7-16-3)13(18)17-9(2)11-6-10(14)4-5-12(11)15/h4-6,8-9,16H,7H2,1-3H3,(H,17,18)
InChIKeyQXVWFXIRKQHOFA-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62852524
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 55126066
(2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 79025345
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81365967
2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide
CID 43699624
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
CID 79201225
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81378790
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide
CID 114327764
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 83835356
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]carbamate
CID 63787990

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide (CID 79195587) is N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is QXVWFXIRKQHOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8(7-16-3)13(18)17-9(2)11-6-10(14)4-5-12(11)15/h4-6,8-9,16H,7H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 256.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79195587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).