5-chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide

C14H17ClFNO2 — CID 123239439

IUPAC5-chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide
SMILESNC(=O)c1cc(Cl)c(COC2CCCCC2)cc1F
InChIInChI=1S/C14H17ClFNO2/c15-12-7-11(14(17)18)13(16)6-9(12)8-19-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H2,17,18)
InChIKeyJQGRVGICYUDWKD-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.43
Rot. Bonds4

About 5-chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide

5-chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide (PubChem CID 123239439) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 5-chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide
PubChem CID123239439
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name5-chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide
SMILESNC(=O)c1cc(Cl)c(COC2CCCCC2)cc1F
InChIInChI=1S/C14H17ClFNO2/c15-12-7-11(14(17)18)13(16)6-9(12)8-19-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H2,17,18)
InChIKeyJQGRVGICYUDWKD-UHFFFAOYSA-N
XLogP3.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide?
The IUPAC name of 5-chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide (CID 123239439) is 5-chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide?
The canonical SMILES for 5-chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide is NC(=O)c1cc(Cl)c(COC2CCCCC2)cc1F.
What is the InChIKey of 5-chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide?
The InChIKey is JQGRVGICYUDWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-12-7-11(14(17)18)13(16)6-9(12)8-19-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H2,17,18).
What are the key properties of 5-chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide?
5-chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide has a molecular weight of 285.75 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide is sourced from PubChem (CID 123239439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).