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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Related Compounds

ethyl 2,6-dichloro-3-methylbenzoate
CID 130783153
2-amino-1-(2-chloro-6-methoxy-3-methylphenyl)propan-1-one
CID 84791812
[2-methyl-4-[[3-methyl-4-(3-methylpentan-3-yloxy)phenyl]methyl]phenyl] 2-methylpropanoate
CID 89007869
[2-methyl-4-[2-[3-methyl-4-(3-methylpentan-3-yloxy)phenyl]propan-2-yl]phenyl] 2-ethyl-2-methylbutanoate
CID 89426205
2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone
CID 171008689
3-chloro-6-methoxy-2-methylbenzamide
CID 171008578
6-chloro-2-iodo-3-methylbenzamide
CID 171003803
3-chloro-4-methyl-2-propylbenzamide
CID 141280601
ethyl 2-(3-chloro-4-methylphenyl)-2-methylpropanoate
CID 105426730
2-(5-fluoro-2-methylphenoxy)-2-methylbutan-1-amine
CID 102986123
1-(6-amino-2-chloro-3-methylphenyl)-2-bromoethanone
CID 171022483
3-chloro-2-iodo-6-methylbenzamide
CID 171003854

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).