2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C12H11ClF3NO4 — CID 61492178

IUPAC2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1cc(C=O)cc(Cl)c1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H11ClF3NO4/c1-20-9-3-7(4-18)2-8(13)11(9)21-5-10(19)17-6-12(14,15)16/h2-4H,5-6H2,1H3,(H,17,19)
InChIKeyMKZHQFSKJZBZDR-UHFFFAOYSA-N
MW325.67 g/mol
LogP2.22
Rot. Bonds6

About 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492178) has the molecular formula C12H11ClF3NO4 and a molecular weight of 325.67 g/mol. Its IUPAC name is 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492178
Molecular FormulaC12H11ClF3NO4
Molecular Weight325.67 g/mol
Exact Mass325.03
IUPAC Name2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1cc(C=O)cc(Cl)c1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H11ClF3NO4/c1-20-9-3-7(4-18)2-8(13)11(9)21-5-10(19)17-6-12(14,15)16/h2-4H,5-6H2,1H3,(H,17,19)
InChIKeyMKZHQFSKJZBZDR-UHFFFAOYSA-N
XLogP2.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.67
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 2430743
2-Chloro-4-formyl-6-methoxyphenyl morpholine-4-carboxylate
CID 575093
2-(2-Chloro-6-ethoxy-4-formylphenoxy)acetamide
CID 889956
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide
CID 18145594
2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2477471
[2-(2-Cyanoethylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 41278688
4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(2-fluorophenyl)ethyl]-5-methoxybenzamide
CID 45863756
2-(5-formyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 16228399
2-(2-chloro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 61681844
3-Chloro-5-ethoxy-4-(2,2,2-trifluoroethoxy)benzaldehyde
CID 118897856
2-(2-Chloro-4-formyl-6-methoxyphenoxy)acetamide
CID 7028327

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 61492178) is 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is COc1cc(C=O)cc(Cl)c1OCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MKZHQFSKJZBZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NO4/c1-20-9-3-7(4-18)2-8(13)11(9)21-5-10(19)17-6-12(14,15)16/h2-4H,5-6H2,1H3,(H,17,19).
What are the key properties of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 325.67 g/mol, XLogP of 2.22, 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-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).