3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide

C28H22Br2N2O4 — CID 4030037

IUPAC3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
SMILESCOc1cc(-c2ccc(NC(=O)c3cccc(Br)c3)c(OC)c2)ccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C28H22Br2N2O4/c1-35-25-15-17(9-11-23(25)31-27(33)19-5-3-7-21(29)13-19)18-10-12-24(26(16-18)36-2)32-28(34)20-6-4-8-22(30)14-20/h3-16H,1-2H3,(H,31,33)(H,32,34)
InChIKeyYGZKSWDAFOWTGS-UHFFFAOYSA-N
MW610.30 g/mol
LogP7.40
Rot. Bonds7

About 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide

3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide (PubChem CID 4030037) has the molecular formula C28H22Br2N2O4 and a molecular weight of 610.30 g/mol. Its IUPAC name is 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
PubChem CID4030037
Molecular FormulaC28H22Br2N2O4
Molecular Weight610.30 g/mol
Exact Mass607.99
IUPAC Name3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
SMILESCOc1cc(-c2ccc(NC(=O)c3cccc(Br)c3)c(OC)c2)ccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C28H22Br2N2O4/c1-35-25-15-17(9-11-23(25)31-27(33)19-5-3-7-21(29)13-19)18-10-12-24(26(16-18)36-2)32-28(34)20-6-4-8-22(30)14-20/h3-16H,1-2H3,(H,31,33)(H,32,34)
InChIKeyYGZKSWDAFOWTGS-UHFFFAOYSA-N
XLogP7.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.30
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]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

3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964
N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide
CID 43980864
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide
CID 1034731
N-(5-amino-2-methoxyphenyl)-3-bromobenzamide
CID 24699431
3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 2669093
3-bromo-N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 1018544
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide
CID 4537878
3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750690
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
CID 35346015

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide (CID 4030037) is 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide is COc1cc(-c2ccc(NC(=O)c3cccc(Br)c3)c(OC)c2)ccc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide?
The InChIKey is YGZKSWDAFOWTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Br2N2O4/c1-35-25-15-17(9-11-23(25)31-27(33)19-5-3-7-21(29)13-19)18-10-12-24(26(16-18)36-2)32-28(34)20-6-4-8-22(30)14-20/h3-16H,1-2H3,(H,31,33)(H,32,34).
What are the key properties of 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide?
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide has a molecular weight of 610.30 g/mol, XLogP of 7.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide is sourced from PubChem (CID 4030037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).