2-chloro-4,5-diethoxybenzamide

C11H14ClNO3 — CID 82268164

IUPAC2-chloro-4,5-diethoxybenzamide
SMILESCCOc1cc(Cl)c(C(N)=O)cc1OCC
InChIInChI=1S/C11H14ClNO3/c1-3-15-9-5-7(11(13)14)8(12)6-10(9)16-4-2/h5-6H,3-4H2,1-2H3,(H2,13,14)
InChIKeyUUZDHQDEACHTIV-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.24
Rot. Bonds5

About 2-chloro-4,5-diethoxybenzamide

2-chloro-4,5-diethoxybenzamide (PubChem CID 82268164) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-chloro-4,5-diethoxybenzamide.

Molecular Properties

Compound Name2-chloro-4,5-diethoxybenzamide
PubChem CID82268164
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-chloro-4,5-diethoxybenzamide
SMILESCCOc1cc(Cl)c(C(N)=O)cc1OCC
InChIInChI=1S/C11H14ClNO3/c1-3-15-9-5-7(11(13)14)8(12)6-10(9)16-4-2/h5-6H,3-4H2,1-2H3,(H2,13,14)
InChIKeyUUZDHQDEACHTIV-UHFFFAOYSA-N
XLogP2.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one
CID 43340747
1-(2-chloro-4,5-diethoxyphenyl)prop-2-en-1-one
CID 83959394
(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone
CID 82268169
4-chloro-2-ethoxybenzamide
CID 126998915
(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
CID 43340750
2-bromo-1-(2-chloro-4,5-diethoxyphenyl)butan-1-one
CID 63386249
1-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863
(2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone
CID 43162240
(E)-3-(2-chloro-4,5-diethoxyphenyl)pent-2-enoic acid
CID 83959383
ethyl 2-(4-chloro-2,5-diethoxyphenyl)-2-oxoacetate
CID 82551579
(2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone
CID 43330615
2,4-diethoxybenzamide
CID 17145726

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-diethoxybenzamide?
The IUPAC name of 2-chloro-4,5-diethoxybenzamide (CID 82268164) is 2-chloro-4,5-diethoxybenzamide.
What is the SMILES notation for 2-chloro-4,5-diethoxybenzamide?
The canonical SMILES for 2-chloro-4,5-diethoxybenzamide is CCOc1cc(Cl)c(C(N)=O)cc1OCC.
What is the InChIKey of 2-chloro-4,5-diethoxybenzamide?
The InChIKey is UUZDHQDEACHTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-3-15-9-5-7(11(13)14)8(12)6-10(9)16-4-2/h5-6H,3-4H2,1-2H3,(H2,13,14).
What are the key properties of 2-chloro-4,5-diethoxybenzamide?
2-chloro-4,5-diethoxybenzamide has a molecular weight of 243.69 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-diethoxybenzamide is sourced from PubChem (CID 82268164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).