5-chloro-2-ethoxy-3,6-dimethylbenzamide

C11H14ClNO2 — CID 82266739

IUPAC5-chloro-2-ethoxy-3,6-dimethylbenzamide
SMILESCCOc1c(C)cc(Cl)c(C)c1C(N)=O
InChIInChI=1S/C11H14ClNO2/c1-4-15-10-6(2)5-8(12)7(3)9(10)11(13)14/h5H,4H2,1-3H3,(H2,13,14)
InChIKeyCLBKDDNNCGQJFN-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.45
Rot. Bonds3

About 5-chloro-2-ethoxy-3,6-dimethylbenzamide

5-chloro-2-ethoxy-3,6-dimethylbenzamide (PubChem CID 82266739) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-3,6-dimethylbenzamide.

Molecular Properties

Compound Name5-chloro-2-ethoxy-3,6-dimethylbenzamide
PubChem CID82266739
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name5-chloro-2-ethoxy-3,6-dimethylbenzamide
SMILESCCOc1c(C)cc(Cl)c(C)c1C(N)=O
InChIInChI=1S/C11H14ClNO2/c1-4-15-10-6(2)5-8(12)7(3)9(10)11(13)14/h5H,4H2,1-3H3,(H2,13,14)
InChIKeyCLBKDDNNCGQJFN-UHFFFAOYSA-N
XLogP2.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-one
CID 82266724
3-chloro-2,5-dimethyl-6-propoxybenzoic acid
CID 82266755
3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde
CID 171085182
6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
CID 83940616
ethyl 2-(5-chloro-2-fluoro-3,6-dimethylphenyl)-2-oxoacetate
CID 117400263
1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one
CID 82266800
1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol
CID 83940650
1-(5-chloro-2-hydroxy-3,6-dimethylphenyl)butan-1-one
CID 82266653
6-chloro-3,4-diethoxy-2-methylbenzoic acid
CID 140590154
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol
CID 83940579
4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol
CID 83940663
2-[3-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-yl]propane-1,3-diamine
CID 83940614

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-3,6-dimethylbenzamide?
The IUPAC name of 5-chloro-2-ethoxy-3,6-dimethylbenzamide (CID 82266739) is 5-chloro-2-ethoxy-3,6-dimethylbenzamide.
What is the SMILES notation for 5-chloro-2-ethoxy-3,6-dimethylbenzamide?
The canonical SMILES for 5-chloro-2-ethoxy-3,6-dimethylbenzamide is CCOc1c(C)cc(Cl)c(C)c1C(N)=O.
What is the InChIKey of 5-chloro-2-ethoxy-3,6-dimethylbenzamide?
The InChIKey is CLBKDDNNCGQJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-4-15-10-6(2)5-8(12)7(3)9(10)11(13)14/h5H,4H2,1-3H3,(H2,13,14).
What are the key properties of 5-chloro-2-ethoxy-3,6-dimethylbenzamide?
5-chloro-2-ethoxy-3,6-dimethylbenzamide has a molecular weight of 227.69 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-3,6-dimethylbenzamide is sourced from PubChem (CID 82266739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).