N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide

C13H16BrF2NO — CID 107322118

IUPACN-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide
SMILESCc1cc(C(=O)NCCCCCBr)c(F)cc1F
InChIInChI=1S/C13H16BrF2NO/c1-9-7-10(12(16)8-11(9)15)13(18)17-6-4-2-3-5-14/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyXQLFUPCZZLRLJV-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.57
Rot. Bonds6

About N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide

N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide (PubChem CID 107322118) has the molecular formula C13H16BrF2NO and a molecular weight of 320.18 g/mol. Its IUPAC name is N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide
PubChem CID107322118
Molecular FormulaC13H16BrF2NO
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC NameN-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide
SMILESCc1cc(C(=O)NCCCCCBr)c(F)cc1F
InChIInChI=1S/C13H16BrF2NO/c1-9-7-10(12(16)8-11(9)15)13(18)17-6-4-2-3-5-14/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyXQLFUPCZZLRLJV-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-(6-bromohexyl)-3-fluoro-4-methylbenzamide
CID 107847799
N-(5-bromo-2,2-dimethylpentyl)-2,4-difluoro-5-methylbenzamide
CID 106145115
N-(4-bromobutyl)-5-fluoro-2-methylbenzamide
CID 106845986
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114
N-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963
N-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide
CID 106122327
N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide
CID 107847909
4-bromo-N-(6-bromohexyl)-2-fluorobenzamide
CID 114008594
N-(5-bromopentyl)-2,4-dimethylbenzamide
CID 107321862
N-(3-bromopentyl)-2,4-difluoro-5-methylbenzamide
CID 113497969
4-bromo-N-(6-bromohexyl)-2-methylbenzamide
CID 107847484
N-(6-bromohexyl)-2,4,6-trifluorobenzamide
CID 107847891

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide?
The IUPAC name of N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide (CID 107322118) is N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide.
What is the SMILES notation for N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide?
The canonical SMILES for N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide is Cc1cc(C(=O)NCCCCCBr)c(F)cc1F.
What is the InChIKey of N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide?
The InChIKey is XQLFUPCZZLRLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO/c1-9-7-10(12(16)8-11(9)15)13(18)17-6-4-2-3-5-14/h7-8H,2-6H2,1H3,(H,17,18).
What are the key properties of N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide?
N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide has a molecular weight of 320.18 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide is sourced from PubChem (CID 107322118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).