2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide

C26H25BrFN3O4 — CID 66577142

IUPAC2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide
SMILESCc1cc(Br)cc(C)c1NC(=O)COc1ccc(F)cc1C(=O)NCC(=O)N(C)c1ccccc1
InChIInChI=1S/C26H25BrFN3O4/c1-16-11-18(27)12-17(2)25(16)30-23(32)15-35-22-10-9-19(28)13-21(22)26(34)29-14-24(33)31(3)20-7-5-4-6-8-20/h4-13H,14-15H2,1-3H3,(H,29,34)(H,30,32)
InChIKeyXRWACNJJRMJXBY-UHFFFAOYSA-N
MW542.41 g/mol
LogP4.62
Rot. Bonds8

About 2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide

2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide (PubChem CID 66577142) has the molecular formula C26H25BrFN3O4 and a molecular weight of 542.41 g/mol. Its IUPAC name is 2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide
PubChem CID66577142
Molecular FormulaC26H25BrFN3O4
Molecular Weight542.41 g/mol
Exact Mass541.10
IUPAC Name2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide
SMILESCc1cc(Br)cc(C)c1NC(=O)COc1ccc(F)cc1C(=O)NCC(=O)N(C)c1ccccc1
InChIInChI=1S/C26H25BrFN3O4/c1-16-11-18(27)12-17(2)25(16)30-23(32)15-35-22-10-9-19(28)13-21(22)26(34)29-14-24(33)31(3)20-7-5-4-6-8-20/h4-13H,14-15H2,1-3H3,(H,29,34)(H,30,32)
InChIKeyXRWACNJJRMJXBY-UHFFFAOYSA-N
XLogP4.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.41
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]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-[(2R)-1-(4-bromo-2,6-dimethylanilino)-1-oxopropan-2-yl]oxy-5-fluoro-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]benzamide
CID 66577149
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide
CID 66577143
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 31127033
2-(2-acetyl-4-fluorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 112774554
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807867
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide
CID 3944962
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 24544481
N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 27760701
N-(4-bromo-2,6-dimethylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2294565
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide (CID 66577142) is 2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide is Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(F)cc1C(=O)NCC(=O)N(C)c1ccccc1.
What is the InChIKey of 2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is XRWACNJJRMJXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrFN3O4/c1-16-11-18(27)12-17(2)25(16)30-23(32)15-35-22-10-9-19(28)13-21(22)26(34)29-14-24(33)31(3)20-7-5-4-6-8-20/h4-13H,14-15H2,1-3H3,(H,29,34)(H,30,32).
What are the key properties of 2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide?
2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 542.41 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 66577142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).