2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide

C13H18F2N2O — CID 81486845

IUPAC2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
SMILESCNCC(C)CNC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C13H18F2N2O/c1-9(7-16-2)8-17-12(18)6-10-4-3-5-11(14)13(10)15/h3-5,9,16H,6-8H2,1-2H3,(H,17,18)
InChIKeySRMOZMFVWHDXDZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.48
Rot. Bonds6

About 2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide

2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide (PubChem CID 81486845) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
PubChem CID81486845
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
SMILESCNCC(C)CNC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C13H18F2N2O/c1-9(7-16-2)8-17-12(18)6-10-4-3-5-11(14)13(10)15/h3-5,9,16H,6-8H2,1-2H3,(H,17,18)
InChIKeySRMOZMFVWHDXDZ-UHFFFAOYSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride
CID 91645374
2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 86813836
2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103747763
2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862391
N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide
CID 62666475
N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride
CID 119996136
N-[(2R)-2-methyl-3-(methylamino)propyl]-2-(3-methylphenyl)acetamide
CID 99646919
2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115687726
3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113282528
(2S)-3-[3-(2,3-difluorophenyl)propanoylamino]-2-methylpropanoic acid
CID 97324559
1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one
CID 116553856
N-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 110838402

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide?
The IUPAC name of 2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide (CID 81486845) is 2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide is CNCC(C)CNC(=O)Cc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide?
The InChIKey is SRMOZMFVWHDXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-9(7-16-2)8-17-12(18)6-10-4-3-5-11(14)13(10)15/h3-5,9,16H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide?
2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide has a molecular weight of 256.30 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide is sourced from PubChem (CID 81486845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).