N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide

C21H26FN3O2 — CID 42883674

IUPACN-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCC(C)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H26FN3O2/c1-4-15(2)16-5-9-18(10-6-16)23-20(26)13-25(3)14-21(27)24-19-11-7-17(22)8-12-19/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeySSRDUMYTKJIBAU-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.85
Rot. Bonds8

About N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide

N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 42883674) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID42883674
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCC(C)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H26FN3O2/c1-4-15(2)16-5-9-18(10-6-16)23-20(26)13-25(3)14-21(27)24-19-11-7-17(22)8-12-19/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeySSRDUMYTKJIBAU-UHFFFAOYSA-N
XLogP3.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9052723
N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339207
N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42913792
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]amino]acetamide
CID 9253582
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
N-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide
CID 135099106
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348198
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide (CID 42883674) is N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide is CCC(C)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is SSRDUMYTKJIBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-4-15(2)16-5-9-18(10-6-16)23-20(26)13-25(3)14-21(27)24-19-11-7-17(22)8-12-19/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 371.46 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 42883674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).