5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide

C15H19Br2NO — CID 113395138

IUPAC5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC1CCCCCC1Br
InChIInChI=1S/C15H19Br2NO/c1-10-7-8-11(16)9-12(10)15(19)18-14-6-4-2-3-5-13(14)17/h7-9,13-14H,2-6H2,1H3,(H,18,19)
InChIKeyMGYGKLMPTNWWEO-UHFFFAOYSA-N
MW389.13 g/mol
LogP4.58
Rot. Bonds2

About 5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide

5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide (PubChem CID 113395138) has the molecular formula C15H19Br2NO and a molecular weight of 389.13 g/mol. Its IUPAC name is 5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
PubChem CID113395138
Molecular FormulaC15H19Br2NO
Molecular Weight389.13 g/mol
Exact Mass386.98
IUPAC Name5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC1CCCCCC1Br
InChIInChI=1S/C15H19Br2NO/c1-10-7-8-11(16)9-12(10)15(19)18-14-6-4-2-3-5-13(14)17/h7-9,13-14H,2-6H2,1H3,(H,18,19)
InChIKeyMGYGKLMPTNWWEO-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.13
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide (CID 113395138) is 5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NC1CCCCCC1Br.
What is the InChIKey of 5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide?
The InChIKey is MGYGKLMPTNWWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO/c1-10-7-8-11(16)9-12(10)15(19)18-14-6-4-2-3-5-13(14)17/h7-9,13-14H,2-6H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide?
5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide has a molecular weight of 389.13 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide is sourced from PubChem (CID 113395138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).