2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide

C23H21BrN2O3 — CID 112759231

IUPAC2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C23H21BrN2O3/c1-15-7-8-16(2)20(13-15)26-23(28)19-5-3-4-6-21(19)29-14-22(27)25-18-11-9-17(24)10-12-18/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyUCWYVFRKADNGKQ-UHFFFAOYSA-N
MW453.34 g/mol
LogP5.34
Rot. Bonds6

About 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide (PubChem CID 112759231) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
PubChem CID112759231
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC Name2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C23H21BrN2O3/c1-15-7-8-16(2)20(13-15)26-23(28)19-5-3-4-6-21(19)29-14-22(27)25-18-11-9-17(24)10-12-18/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyUCWYVFRKADNGKQ-UHFFFAOYSA-N
XLogP5.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-2-oxoethoxy)-N-(2,5-dimethylphenyl)benzamide
CID 34795428
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967
N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
2-[2-(hydrazinecarbonyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 54793411
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide
CID 46663703
N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide
CID 30156322
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
[2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate
CID 3361206
N-(2,5-dimethylphenyl)-2-(2-phenylethoxy)benzamide
CID 19628089
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 52897026

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide?
The IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide (CID 112759231) is 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide.
What is the SMILES notation for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide?
The canonical SMILES for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide is Cc1ccc(C)c(NC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide?
The InChIKey is UCWYVFRKADNGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-15-7-8-16(2)20(13-15)26-23(28)19-5-3-4-6-21(19)29-14-22(27)25-18-11-9-17(24)10-12-18/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide?
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide has a molecular weight of 453.34 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide is sourced from PubChem (CID 112759231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).