5-chloro-2-[2-(diethylamino)ethoxy]benzamide

C13H19ClN2O2 — CID 21166

IUPAC5-chloro-2-[2-(diethylamino)ethoxy]benzamide
SMILESCCN(CC)CCOc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-12-6-5-10(14)9-11(12)13(15)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,17)
InChIKeyCEXYMSRONVJQSF-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.16
Rot. Bonds7

About 5-chloro-2-[2-(diethylamino)ethoxy]benzamide

5-chloro-2-[2-(diethylamino)ethoxy]benzamide (PubChem CID 21166) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-chloro-2-[2-(diethylamino)ethoxy]benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-(diethylamino)ethoxy]benzamide
PubChem CID21166
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name5-chloro-2-[2-(diethylamino)ethoxy]benzamide
SMILESCCN(CC)CCOc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-12-6-5-10(14)9-11(12)13(15)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,17)
InChIKeyCEXYMSRONVJQSF-UHFFFAOYSA-N
XLogP2.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(diethylamino)ethoxy]benzamide?
The IUPAC name of 5-chloro-2-[2-(diethylamino)ethoxy]benzamide (CID 21166) is 5-chloro-2-[2-(diethylamino)ethoxy]benzamide.
What is the SMILES notation for 5-chloro-2-[2-(diethylamino)ethoxy]benzamide?
The canonical SMILES for 5-chloro-2-[2-(diethylamino)ethoxy]benzamide is CCN(CC)CCOc1ccc(Cl)cc1C(N)=O.
What is the InChIKey of 5-chloro-2-[2-(diethylamino)ethoxy]benzamide?
The InChIKey is CEXYMSRONVJQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-12-6-5-10(14)9-11(12)13(15)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,17).
What are the key properties of 5-chloro-2-[2-(diethylamino)ethoxy]benzamide?
5-chloro-2-[2-(diethylamino)ethoxy]benzamide has a molecular weight of 270.76 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(diethylamino)ethoxy]benzamide is sourced from PubChem (CID 21166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).