2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide

C20H23FN4O3 — CID 55897825

IUPAC2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CNc2ccc(F)c(C(N)=O)c2)c(C)c1
InChIInChI=1S/C20H23FN4O3/c1-11-6-12(2)19(13(3)7-11)25-18(27)10-24-17(26)9-23-14-4-5-16(21)15(8-14)20(22)28/h4-8,23H,9-10H2,1-3H3,(H2,22,28)(H,24,26)(H,25,27)
InChIKeyCADASXIOCZESDP-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.02
Rot. Bonds7

About 2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide

2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide (PubChem CID 55897825) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide
PubChem CID55897825
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CNc2ccc(F)c(C(N)=O)c2)c(C)c1
InChIInChI=1S/C20H23FN4O3/c1-11-6-12(2)19(13(3)7-11)25-18(27)10-24-17(26)9-23-14-4-5-16(21)15(8-14)20(22)28/h4-8,23H,9-10H2,1-3H3,(H2,22,28)(H,24,26)(H,25,27)
InChIKeyCADASXIOCZESDP-UHFFFAOYSA-N
XLogP2.02
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26506345
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 55412776
2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26528428
2-(3,5-dichloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 26417629
3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
CID 119269153
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362409
N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide
CID 62808904
ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate
CID 109007993
5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide
CID 66474208
2-[(4-methylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51579223
2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9101828
5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide
CID 60853756

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide?
The IUPAC name of 2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide (CID 55897825) is 2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide.
What is the SMILES notation for 2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide?
The canonical SMILES for 2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide is Cc1cc(C)c(NC(=O)CNC(=O)CNc2ccc(F)c(C(N)=O)c2)c(C)c1.
What is the InChIKey of 2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide?
The InChIKey is CADASXIOCZESDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-11-6-12(2)19(13(3)7-11)25-18(27)10-24-17(26)9-23-14-4-5-16(21)15(8-14)20(22)28/h4-8,23H,9-10H2,1-3H3,(H2,22,28)(H,24,26)(H,25,27).
What are the key properties of 2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide?
2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide has a molecular weight of 386.43 g/mol, XLogP of 2.02, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide is sourced from PubChem (CID 55897825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).