5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide

C13H14BrClFNO — CID 114301350

IUPAC5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide
SMILESO=C(NC1CCCCC1Cl)c1cc(Br)ccc1F
InChIInChI=1S/C13H14BrClFNO/c14-8-5-6-11(16)9(7-8)13(18)17-12-4-2-1-3-10(12)15/h5-7,10,12H,1-4H2,(H,17,18)
InChIKeyLEPSRDYTPYNBDW-UHFFFAOYSA-N
MW334.62 g/mol
LogP3.87
Rot. Bonds2

About 5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide

5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide (PubChem CID 114301350) has the molecular formula C13H14BrClFNO and a molecular weight of 334.62 g/mol. Its IUPAC name is 5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide
PubChem CID114301350
Molecular FormulaC13H14BrClFNO
Molecular Weight334.62 g/mol
Exact Mass332.99
IUPAC Name5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide
SMILESO=C(NC1CCCCC1Cl)c1cc(Br)ccc1F
InChIInChI=1S/C13H14BrClFNO/c14-8-5-6-11(16)9(7-8)13(18)17-12-4-2-1-3-10(12)15/h5-7,10,12H,1-4H2,(H,17,18)
InChIKeyLEPSRDYTPYNBDW-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.62
LogP ≤ 53.87
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

2,4-dibromo-N-(2-chlorocycloheptyl)benzamide
CID 107941355
4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
CID 113272606
4-bromo-N-(2-chlorocycloheptyl)-2-methylbenzamide
CID 113395058
5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114694893
2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide
CID 106444049
4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide
CID 113272580
2-bromo-N-(2-chlorocyclohexyl)benzamide
CID 114301050
5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide
CID 63996958
N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide
CID 114301095
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767098
5-bromo-N-(2-chlorocycloheptyl)pyridine-2-carboxamide
CID 113395079

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide (CID 114301350) is 5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide is O=C(NC1CCCCC1Cl)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide?
The InChIKey is LEPSRDYTPYNBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClFNO/c14-8-5-6-11(16)9(7-8)13(18)17-12-4-2-1-3-10(12)15/h5-7,10,12H,1-4H2,(H,17,18).
What are the key properties of 5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide?
5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide has a molecular weight of 334.62 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide is sourced from PubChem (CID 114301350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).