3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide

C16H17ClFN3O2 — CID 53181987

IUPAC3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
SMILESCc1noc(C2(NC(=O)c3ccc(F)c(Cl)c3)CCCCC2)n1
InChIInChI=1S/C16H17ClFN3O2/c1-10-19-15(23-21-10)16(7-3-2-4-8-16)20-14(22)11-5-6-13(18)12(17)9-11/h5-6,9H,2-4,7-8H2,1H3,(H,20,22)
InChIKeyZJVKWRBGPNZIIV-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.76
Rot. Bonds3

About 3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide

3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide (PubChem CID 53181987) has the molecular formula C16H17ClFN3O2 and a molecular weight of 337.78 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
PubChem CID53181987
Molecular FormulaC16H17ClFN3O2
Molecular Weight337.78 g/mol
Exact Mass337.10
IUPAC Name3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
SMILESCc1noc(C2(NC(=O)c3ccc(F)c(Cl)c3)CCCCC2)n1
InChIInChI=1S/C16H17ClFN3O2/c1-10-19-15(23-21-10)16(7-3-2-4-8-16)20-14(22)11-5-6-13(18)12(17)9-11/h5-6,9H,2-4,7-8H2,1H3,(H,20,22)
InChIKeyZJVKWRBGPNZIIV-UHFFFAOYSA-N
XLogP3.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide (CID 53181987) is 3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide is Cc1noc(C2(NC(=O)c3ccc(F)c(Cl)c3)CCCCC2)n1.
What is the InChIKey of 3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The InChIKey is ZJVKWRBGPNZIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O2/c1-10-19-15(23-21-10)16(7-3-2-4-8-16)20-14(22)11-5-6-13(18)12(17)9-11/h5-6,9H,2-4,7-8H2,1H3,(H,20,22).
What are the key properties of 3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide has a molecular weight of 337.78 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide is sourced from PubChem (CID 53181987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).