N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide

C25H23BrFN3O4 — CID 66577143

IUPACN-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide
SMILESCN(Cc1ccccc1)C(=O)CNC(=O)c1cc(F)ccc1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C25H23BrFN3O4/c1-30(15-17-5-3-2-4-6-17)24(32)14-28-25(33)21-13-19(27)9-12-22(21)34-16-23(31)29-20-10-7-18(26)8-11-20/h2-13H,14-16H2,1H3,(H,28,33)(H,29,31)
InChIKeyZOFMYEQNXAGIGN-UHFFFAOYSA-N
MW528.38 g/mol
LogP3.99
Rot. Bonds9

About N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide

N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide (PubChem CID 66577143) has the molecular formula C25H23BrFN3O4 and a molecular weight of 528.38 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide
PubChem CID66577143
Molecular FormulaC25H23BrFN3O4
Molecular Weight528.38 g/mol
Exact Mass527.09
IUPAC NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide
SMILESCN(Cc1ccccc1)C(=O)CNC(=O)c1cc(F)ccc1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C25H23BrFN3O4/c1-30(15-17-5-3-2-4-6-17)24(32)14-28-25(33)21-13-19(27)9-12-22(21)34-16-23(31)29-20-10-7-18(26)8-11-20/h2-13H,14-16H2,1H3,(H,28,33)(H,29,31)
InChIKeyZOFMYEQNXAGIGN-UHFFFAOYSA-N
XLogP3.99
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-5-fluoro-N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 66577142
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide
CID 112992420
2-[2-[(4-bromophenyl)methyl-fluorocarbamoyl]-4-fluorophenoxy]acetic acid
CID 18468205
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 52897026
N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide
CID 107697645
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide
CID 46937202
N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 4937395
N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide
CID 2632781
[2-(benzylamino)-2-oxoethyl] 2-[2-(4-bromoanilino)-2-oxoethoxy]benzoate
CID 42965792
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51160864

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide (CID 66577143) is N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide is CN(Cc1ccccc1)C(=O)CNC(=O)c1cc(F)ccc1OCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide?
The InChIKey is ZOFMYEQNXAGIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrFN3O4/c1-30(15-17-5-3-2-4-6-17)24(32)14-28-25(33)21-13-19(27)9-12-22(21)34-16-23(31)29-20-10-7-18(26)8-11-20/h2-13H,14-16H2,1H3,(H,28,33)(H,29,31).
What are the key properties of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide?
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide has a molecular weight of 528.38 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]-5-fluorobenzamide is sourced from PubChem (CID 66577143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).