N-(5-bromopentan-2-yl)-2,3,4,5,6-pentafluorobenzamide

C12H11BrF5NO — CID 114316556

IUPACN-(5-bromopentan-2-yl)-2,3,4,5,6-pentafluorobenzamide
SMILESCC(CCCBr)NC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H11BrF5NO/c1-5(3-2-4-13)19-12(20)6-7(14)9(16)11(18)10(17)8(6)15/h5H,2-4H2,1H3,(H,19,20)
InChIKeyCJFDLPNPZUBKHM-UHFFFAOYSA-N
MW360.12 g/mol
LogP3.68
Rot. Bonds5

About N-(5-bromopentan-2-yl)-2,3,4,5,6-pentafluorobenzamide

N-(5-bromopentan-2-yl)-2,3,4,5,6-pentafluorobenzamide (PubChem CID 114316556) has the molecular formula C12H11BrF5NO and a molecular weight of 360.12 g/mol. Its IUPAC name is N-(5-bromopentan-2-yl)-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-(5-bromopentan-2-yl)-2,3,4,5,6-pentafluorobenzamide
PubChem CID114316556
Molecular FormulaC12H11BrF5NO
Molecular Weight360.12 g/mol
Exact Mass358.99
IUPAC NameN-(5-bromopentan-2-yl)-2,3,4,5,6-pentafluorobenzamide
SMILESCC(CCCBr)NC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H11BrF5NO/c1-5(3-2-4-13)19-12(20)6-7(14)9(16)11(18)10(17)8(6)15/h5H,2-4H2,1H3,(H,19,20)
InChIKeyCJFDLPNPZUBKHM-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.12
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(5-bromopentan-2-yl)-2,6-difluorobenzamide
CID 113276091
N-(5-bromopentan-2-yl)-2,5-difluorobenzamide
CID 114316646
N-(4-bromo-1-methoxybutan-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 106156113
N-(1-amino-3-methylbutan-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 65190943
N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114316575
2,3,5,6-tetrafluoro-1-N,4-N-bis[(3S)-2-methylpentan-3-yl]benzene-1,4-dicarboxamide
CID 99794491
N-(5-bromopentan-2-yl)-4-chlorobenzamide
CID 114316555
N-(5-bromopentan-2-yl)-3-(trifluoromethyl)benzamide
CID 114316538
N-(4-bromobutan-2-yl)-2-fluoro-3-methylbenzamide
CID 83179699
N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114316446
N-(5-bromopentan-2-yl)-4-cyanobenzamide
CID 114316388
2-bromo-N-(5-bromopentan-2-yl)furan-3-carboxamide
CID 106856170

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentan-2-yl)-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-(5-bromopentan-2-yl)-2,3,4,5,6-pentafluorobenzamide (CID 114316556) is N-(5-bromopentan-2-yl)-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-(5-bromopentan-2-yl)-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-(5-bromopentan-2-yl)-2,3,4,5,6-pentafluorobenzamide is CC(CCCBr)NC(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(5-bromopentan-2-yl)-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is CJFDLPNPZUBKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF5NO/c1-5(3-2-4-13)19-12(20)6-7(14)9(16)11(18)10(17)8(6)15/h5H,2-4H2,1H3,(H,19,20).
What are the key properties of N-(5-bromopentan-2-yl)-2,3,4,5,6-pentafluorobenzamide?
N-(5-bromopentan-2-yl)-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 360.12 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentan-2-yl)-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 114316556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).