3-cyclohexyl-2-fluorobenzamide

C13H16FNO — CID 142776335

IUPAC3-cyclohexyl-2-fluorobenzamide
SMILESNC(=O)c1cccc(C2CCCCC2)c1F
InChIInChI=1S/C13H16FNO/c14-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(15)16/h4,7-9H,1-3,5-6H2,(H2,15,16)
InChIKeyPTOAXKGFXZKUEO-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.97
Rot. Bonds2

About 3-cyclohexyl-2-fluorobenzamide

3-cyclohexyl-2-fluorobenzamide (PubChem CID 142776335) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 3-cyclohexyl-2-fluorobenzamide.

Molecular Properties

Compound Name3-cyclohexyl-2-fluorobenzamide
PubChem CID142776335
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name3-cyclohexyl-2-fluorobenzamide
SMILESNC(=O)c1cccc(C2CCCCC2)c1F
InChIInChI=1S/C13H16FNO/c14-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(15)16/h4,7-9H,1-3,5-6H2,(H2,15,16)
InChIKeyPTOAXKGFXZKUEO-UHFFFAOYSA-N
XLogP2.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-fluorobenzamide?
The IUPAC name of 3-cyclohexyl-2-fluorobenzamide (CID 142776335) is 3-cyclohexyl-2-fluorobenzamide.
What is the SMILES notation for 3-cyclohexyl-2-fluorobenzamide?
The canonical SMILES for 3-cyclohexyl-2-fluorobenzamide is NC(=O)c1cccc(C2CCCCC2)c1F.
What is the InChIKey of 3-cyclohexyl-2-fluorobenzamide?
The InChIKey is PTOAXKGFXZKUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(15)16/h4,7-9H,1-3,5-6H2,(H2,15,16).
What are the key properties of 3-cyclohexyl-2-fluorobenzamide?
3-cyclohexyl-2-fluorobenzamide has a molecular weight of 221.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-fluorobenzamide is sourced from PubChem (CID 142776335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).