2-bromo-N-(6-bromohexyl)-5-methoxybenzamide

C14H19Br2NO2 — CID 107847455

IUPAC2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCCCCCCBr)c1
InChIInChI=1S/C14H19Br2NO2/c1-19-11-6-7-13(16)12(10-11)14(18)17-9-5-3-2-4-8-15/h6-7,10H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyWWEIFTKTPBKYPK-UHFFFAOYSA-N
MW393.12 g/mol
LogP4.14
Rot. Bonds8

About 2-bromo-N-(6-bromohexyl)-5-methoxybenzamide

2-bromo-N-(6-bromohexyl)-5-methoxybenzamide (PubChem CID 107847455) has the molecular formula C14H19Br2NO2 and a molecular weight of 393.12 g/mol. Its IUPAC name is 2-bromo-N-(6-bromohexyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
PubChem CID107847455
Molecular FormulaC14H19Br2NO2
Molecular Weight393.12 g/mol
Exact Mass390.98
IUPAC Name2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCCCCCCBr)c1
InChIInChI=1S/C14H19Br2NO2/c1-19-11-6-7-13(16)12(10-11)14(18)17-9-5-3-2-4-8-15/h6-7,10H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyWWEIFTKTPBKYPK-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.12
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-(5,5,5-trifluoropentyl)benzamide
CID 115491577
2-bromo-N-hex-5-ynyl-5-methoxybenzamide
CID 113256097
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide
CID 113238439
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
2-bromo-N-(6-bromohexyl)-5-chlorobenzamide
CID 114026635
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000
2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide
CID 103719286

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-bromohexyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(6-bromohexyl)-5-methoxybenzamide (CID 107847455) is 2-bromo-N-(6-bromohexyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(6-bromohexyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(6-bromohexyl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCCCCCCBr)c1.
What is the InChIKey of 2-bromo-N-(6-bromohexyl)-5-methoxybenzamide?
The InChIKey is WWEIFTKTPBKYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO2/c1-19-11-6-7-13(16)12(10-11)14(18)17-9-5-3-2-4-8-15/h6-7,10H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(6-bromohexyl)-5-methoxybenzamide?
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide has a molecular weight of 393.12 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-bromohexyl)-5-methoxybenzamide is sourced from PubChem (CID 107847455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).