2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide

C21H25F2N3O2 — CID 17430347

IUPAC2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide
SMILESCC(C)C(C)N(CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H25F2N3O2/c1-14(2)15(3)26(12-20(27)24-18-8-4-16(22)5-9-18)13-21(28)25-19-10-6-17(23)7-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyFFOSFGGTIKWUDH-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.89
Rot. Bonds8

About 2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide

2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide (PubChem CID 17430347) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide
PubChem CID17430347
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC Name2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide
SMILESCC(C)C(C)N(CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H25F2N3O2/c1-14(2)15(3)26(12-20(27)24-18-8-4-16(22)5-9-18)13-21(28)25-19-10-6-17(23)7-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyFFOSFGGTIKWUDH-UHFFFAOYSA-N
XLogP3.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 60832948
4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide
CID 119268521
4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide;hydrochloride
CID 119268520
2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 35329297
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42883674
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880
N-(4-fluorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614350
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide (CID 17430347) is 2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide is CC(C)C(C)N(CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is FFOSFGGTIKWUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-14(2)15(3)26(12-20(27)24-18-8-4-16(22)5-9-18)13-21(28)25-19-10-6-17(23)7-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide?
2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 389.45 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 17430347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).