5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide

C14H19Br2NO — CID 107206197

IUPAC5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N(C)CCCCCBr
InChIInChI=1S/C14H19Br2NO/c1-11-6-7-12(16)10-13(11)14(18)17(2)9-5-3-4-8-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyZCCNLFSFTBSIKH-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.39
Rot. Bonds6

About 5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide

5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide (PubChem CID 107206197) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide
PubChem CID107206197
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N(C)CCCCCBr
InChIInChI=1S/C14H19Br2NO/c1-11-6-7-12(16)10-13(11)14(18)17(2)9-5-3-4-8-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyZCCNLFSFTBSIKH-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide 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-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
5-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 80661582
5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709255
N-(5-bromopentyl)-N,4-dimethylbenzamide
CID 107206029
N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide
CID 107206177
N-(5-bromopentyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732751
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 65309366
5-bromo-N-butyl-2-chloro-N-methylbenzamide
CID 60653969
N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 104872346
N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206223

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide?
The IUPAC name of 5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide (CID 107206197) is 5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide?
The canonical SMILES for 5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide is Cc1ccc(Br)cc1C(=O)N(C)CCCCCBr.
What is the InChIKey of 5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide?
The InChIKey is ZCCNLFSFTBSIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-11-6-7-12(16)10-13(11)14(18)17(2)9-5-3-4-8-15/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide?
5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide has a molecular weight of 377.12 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 107206197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).