3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide

C23H20Br2N2O4 — CID 4941361

IUPAC3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(NC(=O)c3ccc(OC)c(Br)c3)c2)cc1Br
InChIInChI=1S/C23H20Br2N2O4/c1-13-4-7-16(26-22(28)14-5-8-20(30-2)17(24)10-14)12-19(13)27-23(29)15-6-9-21(31-3)18(25)11-15/h4-12H,1-3H3,(H,26,28)(H,27,29)
InChIKeyIKWMEFQCHYIOJI-UHFFFAOYSA-N
MW548.23 g/mol
LogP6.04
Rot. Bonds6

About 3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide

3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide (PubChem CID 4941361) has the molecular formula C23H20Br2N2O4 and a molecular weight of 548.23 g/mol. Its IUPAC name is 3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
PubChem CID4941361
Molecular FormulaC23H20Br2N2O4
Molecular Weight548.23 g/mol
Exact Mass545.98
IUPAC Name3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(NC(=O)c3ccc(OC)c(Br)c3)c2)cc1Br
InChIInChI=1S/C23H20Br2N2O4/c1-13-4-7-16(26-22(28)14-5-8-20(30-2)17(24)10-14)12-19(13)27-23(29)15-6-9-21(31-3)18(25)11-15/h4-12H,1-3H3,(H,26,28)(H,27,29)
InChIKeyIKWMEFQCHYIOJI-UHFFFAOYSA-N
XLogP6.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.23
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide 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-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
4-bromo-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzamide
CID 63997805
N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 54539819
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(3-acetamido-4-methylphenyl)-3-bromo-4-(3-methylbutoxy)benzamide
CID 54777517
3-bromo-N-(2,5-dimethylphenyl)-4-propan-2-yloxybenzamide
CID 17355192
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741
5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 63998822
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide (CID 4941361) is 3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(C)c(NC(=O)c3ccc(OC)c(Br)c3)c2)cc1Br.
What is the InChIKey of 3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide?
The InChIKey is IKWMEFQCHYIOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Br2N2O4/c1-13-4-7-16(26-22(28)14-5-8-20(30-2)17(24)10-14)12-19(13)27-23(29)15-6-9-21(31-3)18(25)11-15/h4-12H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide?
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide has a molecular weight of 548.23 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide is sourced from PubChem (CID 4941361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).