N-(2-bromocyclohexyl)-3-fluorobenzamide

C13H15BrFNO — CID 114311839

IUPACN-(2-bromocyclohexyl)-3-fluorobenzamide
SMILESO=C(NC1CCCCC1Br)c1cccc(F)c1
InChIInChI=1S/C13H15BrFNO/c14-11-6-1-2-7-12(11)16-13(17)9-4-3-5-10(15)8-9/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)
InChIKeyRYJDTUIKKJCJDV-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.26
Rot. Bonds2

About N-(2-bromocyclohexyl)-3-fluorobenzamide

N-(2-bromocyclohexyl)-3-fluorobenzamide (PubChem CID 114311839) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-3-fluorobenzamide
PubChem CID114311839
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC NameN-(2-bromocyclohexyl)-3-fluorobenzamide
SMILESO=C(NC1CCCCC1Br)c1cccc(F)c1
InChIInChI=1S/C13H15BrFNO/c14-11-6-1-2-7-12(11)16-13(17)9-4-3-5-10(15)8-9/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)
InChIKeyRYJDTUIKKJCJDV-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.26
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-bromocyclohexyl)-3-hydroxybenzamide
CID 114311869
3-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 40605325
N-(2-chlorocyclopentyl)-3-fluorobenzamide
CID 106443839
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
CID 113275063
N-(2-bromocyclopentyl)-3-methoxybenzamide
CID 80662437
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide
CID 47036307
N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide
CID 62956397
N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide
CID 114312028
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide
CID 100580644
N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide
CID 107706124
3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide
CID 113395139

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-3-fluorobenzamide?
The IUPAC name of N-(2-bromocyclohexyl)-3-fluorobenzamide (CID 114311839) is N-(2-bromocyclohexyl)-3-fluorobenzamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-3-fluorobenzamide?
The canonical SMILES for N-(2-bromocyclohexyl)-3-fluorobenzamide is O=C(NC1CCCCC1Br)c1cccc(F)c1.
What is the InChIKey of N-(2-bromocyclohexyl)-3-fluorobenzamide?
The InChIKey is RYJDTUIKKJCJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c14-11-6-1-2-7-12(11)16-13(17)9-4-3-5-10(15)8-9/h3-5,8,11-12H,1-2,6-7H2,(H,16,17).
What are the key properties of N-(2-bromocyclohexyl)-3-fluorobenzamide?
N-(2-bromocyclohexyl)-3-fluorobenzamide has a molecular weight of 300.17 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-3-fluorobenzamide is sourced from PubChem (CID 114311839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).