2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide

C13H18F2N2O — CID 43401006

IUPAC2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-3-6-16-13(18)8-17-9(2)11-5-4-10(14)7-12(11)15/h4-5,7,9,17H,3,6,8H2,1-2H3,(H,16,18)
InChIKeyYJHNCWYTULESTK-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.14
Rot. Bonds6

About 2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide

2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide (PubChem CID 43401006) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide
PubChem CID43401006
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-3-6-16-13(18)8-17-9(2)11-5-4-10(14)7-12(11)15/h4-5,7,9,17H,3,6,8H2,1-2H3,(H,16,18)
InChIKeyYJHNCWYTULESTK-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide
CID 43400999
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8688787
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8689093
N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 8688905
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226798
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide
CID 8711015
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9370392
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
N-(2,6-difluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369757
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9369894
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369268
2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide
CID 82963648

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide?
The IUPAC name of 2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide (CID 43401006) is 2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide is CCCNC(=O)CNC(C)c1ccc(F)cc1F.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide?
The InChIKey is YJHNCWYTULESTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-3-6-16-13(18)8-17-9(2)11-5-4-10(14)7-12(11)15/h4-5,7,9,17H,3,6,8H2,1-2H3,(H,16,18).
What are the key properties of 2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide?
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide has a molecular weight of 256.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide is sourced from PubChem (CID 43401006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).