[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate

C24H21BrN2O4 — CID 30684694

IUPAC[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
SMILESCc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H21BrN2O4/c1-16-13-18(25)11-12-20(16)26-23(29)15-31-24(30)19-9-5-6-10-21(19)27-22(28)14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,26,29)(H,27,28)
InChIKeyXZVOJBAWDQWDIA-UHFFFAOYSA-N
MW481.35 g/mol
LogP4.73
Rot. Bonds7

About [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate

[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate (PubChem CID 30684694) has the molecular formula C24H21BrN2O4 and a molecular weight of 481.35 g/mol. Its IUPAC name is [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Name[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
PubChem CID30684694
Molecular FormulaC24H21BrN2O4
Molecular Weight481.35 g/mol
Exact Mass480.07
IUPAC Name[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
SMILESCc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H21BrN2O4/c1-16-13-18(25)11-12-20(16)26-23(29)15-31-24(30)19-9-5-6-10-21(19)27-22(28)14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,26,29)(H,27,28)
InChIKeyXZVOJBAWDQWDIA-UHFFFAOYSA-N
XLogP4.73
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.35
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate with MolForge

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Related Compounds

[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7485046
[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 17423024
[2-(2-methylanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149309
[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715820
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628190
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2539835
benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 7428538
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149349
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515914
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 46793438
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 33268113

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate (CID 30684694) is [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate is Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1NC(=O)Cc1ccccc1.
What is the InChIKey of [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate?
The InChIKey is XZVOJBAWDQWDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O4/c1-16-13-18(25)11-12-20(16)26-23(29)15-31-24(30)19-9-5-6-10-21(19)27-22(28)14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,26,29)(H,27,28).
What are the key properties of [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate?
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate has a molecular weight of 481.35 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 30684694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).