5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide

C26H34Br2N2O2 — CID 4730668

IUPAC5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide
SMILESCc1c(Br)cc(C(=O)NCCCCCCNC(=O)c2cc(Br)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C26H34Br2N2O2/c1-15-17(3)21(13-23(27)19(15)5)25(31)29-11-9-7-8-10-12-30-26(32)22-14-24(28)20(6)16(2)18(22)4/h13-14H,7-12H2,1-6H3,(H,29,31)(H,30,32)
InChIKeyURYJFDVANRORHB-UHFFFAOYSA-N
MW566.38 g/mol
LogP6.78
Rot. Bonds9

About 5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide

5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide (PubChem CID 4730668) has the molecular formula C26H34Br2N2O2 and a molecular weight of 566.38 g/mol. Its IUPAC name is 5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide
PubChem CID4730668
Molecular FormulaC26H34Br2N2O2
Molecular Weight566.38 g/mol
Exact Mass564.10
IUPAC Name5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide
SMILESCc1c(Br)cc(C(=O)NCCCCCCNC(=O)c2cc(Br)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C26H34Br2N2O2/c1-15-17(3)21(13-23(27)19(15)5)25(31)29-11-9-7-8-10-12-30-26(32)22-14-24(28)20(6)16(2)18(22)4/h13-14H,7-12H2,1-6H3,(H,29,31)(H,30,32)
InChIKeyURYJFDVANRORHB-UHFFFAOYSA-N
XLogP6.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.38
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide 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

5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4-trimethylbenzamide
CID 4730559
2-bromo-N-(6-hydroxyhexyl)-5-methylbenzamide
CID 103918853
2-bromo-N-hexyl-5-methylbenzamide
CID 80980200
4-bromo-N-(6-bromohexyl)-2-methylbenzamide
CID 107847484
2-bromo-N-(6-chlorohexyl)-5-methylbenzamide
CID 107846583
2-bromo-N-(6-bromohexyl)-4-methylbenzamide
CID 107847962
2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
CID 57338151
N-(4-aminobutyl)-2-bromo-5-methylbenzamide
CID 81109723
2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920154
5-bromo-N-(5-chloropentyl)-2-methylbenzamide
CID 107321142
2,5-dibromo-N-(7-methyloctyl)benzamide
CID 114371952

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide?
The IUPAC name of 5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide (CID 4730668) is 5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide.
What is the SMILES notation for 5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide?
The canonical SMILES for 5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide is Cc1c(Br)cc(C(=O)NCCCCCCNC(=O)c2cc(Br)c(C)c(C)c2C)c(C)c1C.
What is the InChIKey of 5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide?
The InChIKey is URYJFDVANRORHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Br2N2O2/c1-15-17(3)21(13-23(27)19(15)5)25(31)29-11-9-7-8-10-12-30-26(32)22-14-24(28)20(6)16(2)18(22)4/h13-14H,7-12H2,1-6H3,(H,29,31)(H,30,32).
What are the key properties of 5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide?
5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide has a molecular weight of 566.38 g/mol, XLogP of 6.78, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[6-[(5-bromo-2,3,4-trimethylbenzoyl)amino]hexyl]-2,3,4-trimethylbenzamide is sourced from PubChem (CID 4730668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).