2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide

C14H19F2N3O2 — CID 9302840

IUPAC2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H19F2N3O2/c1-3-6-17-13(20)8-19(2)9-14(21)18-12-5-4-10(15)7-11(12)16/h4-5,7H,3,6,8-9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyGZNNIUGERBLBRT-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.36
Rot. Bonds7

About 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide

2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide (PubChem CID 9302840) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
PubChem CID9302840
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H19F2N3O2/c1-3-6-17-13(20)8-19(2)9-14(21)18-12-5-4-10(15)7-11(12)16/h4-5,7H,3,6,8-9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyGZNNIUGERBLBRT-UHFFFAOYSA-N
XLogP1.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2,4-difluorophenyl)-N-propylpropanediamide
CID 108940750
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253283
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61450515
N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 4818872
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302951
N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide
CID 99835722
2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide
CID 9302823
2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60680062
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
N-(2,4-difluorophenyl)hexanamide
CID 3484261
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302973
1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970362

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide (CID 9302840) is 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The InChIKey is GZNNIUGERBLBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-3-6-17-13(20)8-19(2)9-14(21)18-12-5-4-10(15)7-11(12)16/h4-5,7H,3,6,8-9H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide has a molecular weight of 299.32 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 9302840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).