4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide

C16H13Br2ClN2O2 — CID 26239604

IUPAC4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C16H13Br2ClN2O2/c17-11-3-1-10(2-4-11)16(23)20-8-7-15(22)21-14-6-5-12(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,23)(H,21,22)
InChIKeySHJLQGSCKHBYSX-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.62
Rot. Bonds5

About 4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide

4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide (PubChem CID 26239604) has the molecular formula C16H13Br2ClN2O2 and a molecular weight of 460.55 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide
PubChem CID26239604
Molecular FormulaC16H13Br2ClN2O2
Molecular Weight460.55 g/mol
Exact Mass457.90
IUPAC Name4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C16H13Br2ClN2O2/c17-11-3-1-10(2-4-11)16(23)20-8-7-15(22)21-14-6-5-12(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,23)(H,21,22)
InChIKeySHJLQGSCKHBYSX-UHFFFAOYSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]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-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]-3-methylbenzamide
CID 17191558
4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide
CID 7961221
4-bromo-N-[3-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxopropyl]benzamide
CID 39820563
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide
CID 7926606
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide
CID 54925056
N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide
CID 7959132
3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109039266
N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide
CID 43347407

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide (CID 26239604) is 4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide?
The InChIKey is SHJLQGSCKHBYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2ClN2O2/c17-11-3-1-10(2-4-11)16(23)20-8-7-15(22)21-14-6-5-12(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,23)(H,21,22).
What are the key properties of 4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide?
4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide has a molecular weight of 460.55 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 26239604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).