2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide

C12H14ClNO3 — CID 43141838

IUPAC2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide
SMILESCC(Oc1ccc(Cl)cc1C=O)C(=O)N(C)C
InChIInChI=1S/C12H14ClNO3/c1-8(12(16)14(2)3)17-11-5-4-10(13)6-9(11)7-15/h4-8H,1-3H3
InChIKeyWJOREMQTLVOSGX-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.01
Rot. Bonds4

About 2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide

2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide (PubChem CID 43141838) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide
PubChem CID43141838
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide
SMILESCC(Oc1ccc(Cl)cc1C=O)C(=O)N(C)C
InChIInChI=1S/C12H14ClNO3/c1-8(12(16)14(2)3)17-11-5-4-10(13)6-9(11)7-15/h4-8H,1-3H3
InChIKeyWJOREMQTLVOSGX-UHFFFAOYSA-N
XLogP2.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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'}

Analyze 2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 61379027
2-(2-amino-5-chlorophenoxy)-N,N-dimethylpropanamide
CID 62303980
2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 43324815
2-(4-chloro-2-formylphenoxy)butanoic acid
CID 22057855
2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide
CID 113389923
2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide
CID 19857254
(2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid
CID 138687037
2-(4-chloro-2-formylphenoxy)hexanamide
CID 123720613
2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide
CID 43307243
(2S)-2-[4-[(E)-3-(3-chlorophenyl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide
CID 8858106
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 82032140

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide (CID 43141838) is 2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide is CC(Oc1ccc(Cl)cc1C=O)C(=O)N(C)C.
What is the InChIKey of 2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide?
The InChIKey is WJOREMQTLVOSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-8(12(16)14(2)3)17-11-5-4-10(13)6-9(11)7-15/h4-8H,1-3H3.
What are the key properties of 2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide?
2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide has a molecular weight of 255.70 g/mol, XLogP of 2.01, 4 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,N-dimethylpropanamide is sourced from PubChem (CID 43141838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).