4-chloro-5-(2-hydroxyethoxy)-2-methylbenzamide

C10H12ClNO3 — CID 68604972

IUPAC4-chloro-5-(2-hydroxyethoxy)-2-methylbenzamide
SMILESCc1cc(Cl)c(OCCO)cc1C(N)=O
InChIInChI=1S/C10H12ClNO3/c1-6-4-8(11)9(15-3-2-13)5-7(6)10(12)14/h4-5,13H,2-3H2,1H3,(H2,12,14)
InChIKeyTVLUANZDLDJABH-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.12
Rot. Bonds4

About 4-chloro-5-(2-hydroxyethoxy)-2-methylbenzamide

4-chloro-5-(2-hydroxyethoxy)-2-methylbenzamide (PubChem CID 68604972) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 4-chloro-5-(2-hydroxyethoxy)-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-5-(2-hydroxyethoxy)-2-methylbenzamide
PubChem CID68604972
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name4-chloro-5-(2-hydroxyethoxy)-2-methylbenzamide
SMILESCc1cc(Cl)c(OCCO)cc1C(N)=O
InChIInChI=1S/C10H12ClNO3/c1-6-4-8(11)9(15-3-2-13)5-7(6)10(12)14/h4-5,13H,2-3H2,1H3,(H2,12,14)
InChIKeyTVLUANZDLDJABH-UHFFFAOYSA-N
XLogP1.12
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-hydroxyethoxy)-2-methylbenzamide?
The IUPAC name of 4-chloro-5-(2-hydroxyethoxy)-2-methylbenzamide (CID 68604972) is 4-chloro-5-(2-hydroxyethoxy)-2-methylbenzamide.
What is the SMILES notation for 4-chloro-5-(2-hydroxyethoxy)-2-methylbenzamide?
The canonical SMILES for 4-chloro-5-(2-hydroxyethoxy)-2-methylbenzamide is Cc1cc(Cl)c(OCCO)cc1C(N)=O.
What is the InChIKey of 4-chloro-5-(2-hydroxyethoxy)-2-methylbenzamide?
The InChIKey is TVLUANZDLDJABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-6-4-8(11)9(15-3-2-13)5-7(6)10(12)14/h4-5,13H,2-3H2,1H3,(H2,12,14).
What are the key properties of 4-chloro-5-(2-hydroxyethoxy)-2-methylbenzamide?
4-chloro-5-(2-hydroxyethoxy)-2-methylbenzamide has a molecular weight of 229.66 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-hydroxyethoxy)-2-methylbenzamide is sourced from PubChem (CID 68604972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).