2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

C20H24FN3O2 — CID 26528428

IUPAC2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CNc2ccc(F)cc2C)c(C)c1
InChIInChI=1S/C20H24FN3O2/c1-12-7-14(3)20(15(4)8-12)24-19(26)11-23-18(25)10-22-17-6-5-16(21)9-13(17)2/h5-9,22H,10-11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyJKXOZCAVULRRJH-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.23
Rot. Bonds6

About 2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (PubChem CID 26528428) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
PubChem CID26528428
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CNc2ccc(F)cc2C)c(C)c1
InChIInChI=1S/C20H24FN3O2/c1-12-7-14(3)20(15(4)8-12)24-19(26)11-23-18(25)10-22-17-6-5-16(21)9-13(17)2/h5-9,22H,10-11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyJKXOZCAVULRRJH-UHFFFAOYSA-N
XLogP3.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26506345
2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26528432
N-butyl-2-(4-fluoro-2-methylanilino)acetamide
CID 60672489
2-(2,5-dimethylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 26415868
2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide
CID 42125098
2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide
CID 55897825
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 31127033
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-amino-4-fluorobenzoate
CID 27998134
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 50875807
2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide
CID 9106237
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100979
2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525932

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The IUPAC name of 2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (CID 26528428) is 2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The canonical SMILES for 2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is Cc1cc(C)c(NC(=O)CNC(=O)CNc2ccc(F)cc2C)c(C)c1.
What is the InChIKey of 2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The InChIKey is JKXOZCAVULRRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-12-7-14(3)20(15(4)8-12)24-19(26)11-23-18(25)10-22-17-6-5-16(21)9-13(17)2/h5-9,22H,10-11H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide has a molecular weight of 357.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is sourced from PubChem (CID 26528428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).