2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide

C12H14ClNO4 — CID 16769929

IUPAC2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1c(Cl)cc(C=O)cc1OC
InChIInChI=1S/C12H14ClNO4/c1-3-14-11(16)7-18-12-9(13)4-8(6-15)5-10(12)17-2/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyBDHDHYZVBFBZEC-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.68
Rot. Bonds6

About 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide

2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide (PubChem CID 16769929) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide
PubChem CID16769929
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1c(Cl)cc(C=O)cc1OC
InChIInChI=1S/C12H14ClNO4/c1-3-14-11(16)7-18-12-9(13)4-8(6-15)5-10(12)17-2/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyBDHDHYZVBFBZEC-UHFFFAOYSA-N
XLogP1.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide?
The IUPAC name of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide (CID 16769929) is 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide is CCNC(=O)COc1c(Cl)cc(C=O)cc1OC.
What is the InChIKey of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide?
The InChIKey is BDHDHYZVBFBZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-3-14-11(16)7-18-12-9(13)4-8(6-15)5-10(12)17-2/h4-6H,3,7H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide?
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide has a molecular weight of 271.70 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-ethylacetamide is sourced from PubChem (CID 16769929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).