2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide

C12H14ClNO3 — CID 43307243

IUPAC2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc(Cl)cc1C=O
InChIInChI=1S/C12H14ClNO3/c1-3-14(2)12(16)8-17-11-5-4-10(13)6-9(11)7-15/h4-7H,3,8H2,1-2H3
InChIKeyJWNBCTOGBIODCU-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.01
Rot. Bonds5

About 2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide

2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide (PubChem CID 43307243) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide
PubChem CID43307243
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc(Cl)cc1C=O
InChIInChI=1S/C12H14ClNO3/c1-3-14(2)12(16)8-17-11-5-4-10(13)6-9(11)7-15/h4-7H,3,8H2,1-2H3
InChIKeyJWNBCTOGBIODCU-UHFFFAOYSA-N
XLogP2.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide
CID 107697615
2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 60758125
5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82921083
tert-butyl 2-(4-chloro-2-formylphenoxy)acetate
CID 51357407
2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 43309382
2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide
CID 60734519
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide
CID 9009590
(E)-3-[5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 43309807
N-[(3,4-dichlorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide
CID 9199652
2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 17201772
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide
CID 9199644
(E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride
CID 82041781

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide (CID 43307243) is 2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide is CCN(C)C(=O)COc1ccc(Cl)cc1C=O.
What is the InChIKey of 2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide?
The InChIKey is JWNBCTOGBIODCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-3-14(2)12(16)8-17-11-5-4-10(13)6-9(11)7-15/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide?
2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide has a molecular weight of 255.70 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 43307243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).