4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide

C23H21BrN2O4 — CID 156704858

IUPAC4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H21BrN2O4/c1-2-29-21-6-4-3-5-20(21)26-23(28)16-7-13-19(14-8-16)30-15-22(27)25-18-11-9-17(24)10-12-18/h3-14H,2,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyARDNKDWPMGJMLY-UHFFFAOYSA-N
MW469.34 g/mol
LogP5.12
Rot. Bonds8

About 4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide

4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide (PubChem CID 156704858) has the molecular formula C23H21BrN2O4 and a molecular weight of 469.34 g/mol. Its IUPAC name is 4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide
PubChem CID156704858
Molecular FormulaC23H21BrN2O4
Molecular Weight469.34 g/mol
Exact Mass468.07
IUPAC Name4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H21BrN2O4/c1-2-29-21-6-4-3-5-20(21)26-23(28)16-7-13-19(14-8-16)30-15-22(27)25-18-11-9-17(24)10-12-18/h3-14H,2,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyARDNKDWPMGJMLY-UHFFFAOYSA-N
XLogP5.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.34
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)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

N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140411
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 21212223
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
CID 55318570
4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218749
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
N-(2-ethoxyphenyl)-4-(3-phenylpropanoylamino)benzamide
CID 1237348
N-(2-ethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 727173
4-acetamido-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 26243690
N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 9252851

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide?
The IUPAC name of 4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide (CID 156704858) is 4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide?
The canonical SMILES for 4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide is CCOc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide?
The InChIKey is ARDNKDWPMGJMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O4/c1-2-29-21-6-4-3-5-20(21)26-23(28)16-7-13-19(14-8-16)30-15-22(27)25-18-11-9-17(24)10-12-18/h3-14H,2,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide?
4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide has a molecular weight of 469.34 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide is sourced from PubChem (CID 156704858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).