5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide

C15H18Br2FNO — CID 114317524

IUPAC5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide
SMILESO=C(NCC1CCCCC1CBr)c1cc(Br)ccc1F
InChIInChI=1S/C15H18Br2FNO/c16-8-10-3-1-2-4-11(10)9-19-15(20)13-7-12(17)5-6-14(13)18/h5-7,10-11H,1-4,8-9H2,(H,19,20)
InChIKeyFTRQFDQTIZCNHK-UHFFFAOYSA-N
MW407.12 g/mol
LogP4.52
Rot. Bonds4

About 5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide

5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide (PubChem CID 114317524) has the molecular formula C15H18Br2FNO and a molecular weight of 407.12 g/mol. Its IUPAC name is 5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide
PubChem CID114317524
Molecular FormulaC15H18Br2FNO
Molecular Weight407.12 g/mol
Exact Mass404.97
IUPAC Name5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide
SMILESO=C(NCC1CCCCC1CBr)c1cc(Br)ccc1F
InChIInChI=1S/C15H18Br2FNO/c16-8-10-3-1-2-4-11(10)9-19-15(20)13-7-12(17)5-6-14(13)18/h5-7,10-11H,1-4,8-9H2,(H,19,20)
InChIKeyFTRQFDQTIZCNHK-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.12
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
CID 113276186
N-[[2-(bromomethyl)cyclopentyl]methyl]-2,3,4-trifluorobenzamide
CID 114317137
5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 107729903
5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide
CID 106128408
5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 47080623
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
CID 114317426
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide
CID 114317422
N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
CID 9296512
2-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62512195
3-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 114317339
N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 64929794
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide
CID 107233860

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide (CID 114317524) is 5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide is O=C(NCC1CCCCC1CBr)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide?
The InChIKey is FTRQFDQTIZCNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2FNO/c16-8-10-3-1-2-4-11(10)9-19-15(20)13-7-12(17)5-6-14(13)18/h5-7,10-11H,1-4,8-9H2,(H,19,20).
What are the key properties of 5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide?
5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide has a molecular weight of 407.12 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 114317524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).