2-chloro-3-methyl-6-(3-methylpentan-3-yloxy)benzamide

C14H20ClNO2 — CID 23204946

IUPAC2-chloro-3-methyl-6-(3-methylpentan-3-yloxy)benzamide
SMILESCCC(C)(CC)Oc1ccc(C)c(Cl)c1C(N)=O
InChIInChI=1S/C14H20ClNO2/c1-5-14(4,6-2)18-10-8-7-9(3)12(15)11(10)13(16)17/h7-8H,5-6H2,1-4H3,(H2,16,17)
InChIKeyOZBOHXRYBAGUNZ-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.70
Rot. Bonds5

About 2-chloro-3-methyl-6-(3-methylpentan-3-yloxy)benzamide

2-chloro-3-methyl-6-(3-methylpentan-3-yloxy)benzamide (PubChem CID 23204946) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-chloro-3-methyl-6-(3-methylpentan-3-yloxy)benzamide.

Molecular Properties

Compound Name2-chloro-3-methyl-6-(3-methylpentan-3-yloxy)benzamide
PubChem CID23204946
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-chloro-3-methyl-6-(3-methylpentan-3-yloxy)benzamide
SMILESCCC(C)(CC)Oc1ccc(C)c(Cl)c1C(N)=O
InChIInChI=1S/C14H20ClNO2/c1-5-14(4,6-2)18-10-8-7-9(3)12(15)11(10)13(16)17/h7-8H,5-6H2,1-4H3,(H2,16,17)
InChIKeyOZBOHXRYBAGUNZ-UHFFFAOYSA-N
XLogP3.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-6-(3-methylpentan-3-yloxy)benzamide?
The IUPAC name of 2-chloro-3-methyl-6-(3-methylpentan-3-yloxy)benzamide (CID 23204946) is 2-chloro-3-methyl-6-(3-methylpentan-3-yloxy)benzamide.
What is the SMILES notation for 2-chloro-3-methyl-6-(3-methylpentan-3-yloxy)benzamide?
The canonical SMILES for 2-chloro-3-methyl-6-(3-methylpentan-3-yloxy)benzamide is CCC(C)(CC)Oc1ccc(C)c(Cl)c1C(N)=O.
What is the InChIKey of 2-chloro-3-methyl-6-(3-methylpentan-3-yloxy)benzamide?
The InChIKey is OZBOHXRYBAGUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-5-14(4,6-2)18-10-8-7-9(3)12(15)11(10)13(16)17/h7-8H,5-6H2,1-4H3,(H2,16,17).
What are the key properties of 2-chloro-3-methyl-6-(3-methylpentan-3-yloxy)benzamide?
2-chloro-3-methyl-6-(3-methylpentan-3-yloxy)benzamide has a molecular weight of 269.77 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-6-(3-methylpentan-3-yloxy)benzamide is sourced from PubChem (CID 23204946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).