2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide

C23H20BrN3O3 — CID 26549746

IUPAC2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C23H20BrN3O3/c1-15-13-17(24)11-12-19(15)26-21(28)14-25-23(30)18-9-5-6-10-20(18)27-22(29)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyZERFXJNIFFHKFT-UHFFFAOYSA-N
MW466.34 g/mol
LogP4.38
Rot. Bonds6

About 2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide

2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide (PubChem CID 26549746) has the molecular formula C23H20BrN3O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is 2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide
PubChem CID26549746
Molecular FormulaC23H20BrN3O3
Molecular Weight466.34 g/mol
Exact Mass465.07
IUPAC Name2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C23H20BrN3O3/c1-15-13-17(24)11-12-19(15)26-21(28)14-25-23(30)18-9-5-6-10-20(18)27-22(29)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyZERFXJNIFFHKFT-UHFFFAOYSA-N
XLogP4.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 24544481
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988
1-benzyl-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34400540
N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17490654
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide
CID 1104902
2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 27761796
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43039567
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26070999
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide (CID 26549746) is 2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of 2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is ZERFXJNIFFHKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O3/c1-15-13-17(24)11-12-19(15)26-21(28)14-25-23(30)18-9-5-6-10-20(18)27-22(29)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,30)(H,26,28)(H,27,29).
What are the key properties of 2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide?
2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 466.34 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 26549746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).