2-(4-chloro-2-formylphenoxy)hexanamide

C13H16ClNO3 — CID 123720613

IUPAC2-(4-chloro-2-formylphenoxy)hexanamide
SMILESCCCCC(Oc1ccc(Cl)cc1C=O)C(N)=O
InChIInChI=1S/C13H16ClNO3/c1-2-3-4-12(13(15)17)18-11-6-5-10(14)7-9(11)8-16/h5-8,12H,2-4H2,1H3,(H2,15,17)
InChIKeySRAFSTXBLUXDMA-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.58
Rot. Bonds7

About 2-(4-chloro-2-formylphenoxy)hexanamide

2-(4-chloro-2-formylphenoxy)hexanamide (PubChem CID 123720613) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(4-chloro-2-formylphenoxy)hexanamide.

Molecular Properties

Compound Name2-(4-chloro-2-formylphenoxy)hexanamide
PubChem CID123720613
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-(4-chloro-2-formylphenoxy)hexanamide
SMILESCCCCC(Oc1ccc(Cl)cc1C=O)C(N)=O
InChIInChI=1S/C13H16ClNO3/c1-2-3-4-12(13(15)17)18-11-6-5-10(14)7-9(11)8-16/h5-8,12H,2-4H2,1H3,(H2,15,17)
InChIKeySRAFSTXBLUXDMA-UHFFFAOYSA-N
XLogP2.58
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-formylphenoxy)butanoic acid
CID 22057855
methyl 2-(2,5-dichlorophenoxy)hexanoate
CID 113373433
2-(4-chloro-2-methylphenoxy)hexanoic acid
CID 23187169
1-O-(4-chloro-2-formylphenyl) 4-O-heptan-2-yl butanedioate
CID 91722472
5-chloro-2-[1-(1-propylpyridin-1-ium-4-yl)propoxy]benzaldehyde
CID 134427950
2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]hexanamide
CID 166127716
2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide
CID 43141838
ethyl 2-(4-bromo-2-formylphenoxy)pentanoate
CID 83041354
2-(2-formylphenoxy)butanamide
CID 62900622
2-(2,5-dichlorophenoxy)butanamide
CID 62901251
2-(4-chloro-3-fluorophenoxy)octanamide
CID 175719063
2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide
CID 60734519

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-formylphenoxy)hexanamide?
The IUPAC name of 2-(4-chloro-2-formylphenoxy)hexanamide (CID 123720613) is 2-(4-chloro-2-formylphenoxy)hexanamide.
What is the SMILES notation for 2-(4-chloro-2-formylphenoxy)hexanamide?
The canonical SMILES for 2-(4-chloro-2-formylphenoxy)hexanamide is CCCCC(Oc1ccc(Cl)cc1C=O)C(N)=O.
What is the InChIKey of 2-(4-chloro-2-formylphenoxy)hexanamide?
The InChIKey is SRAFSTXBLUXDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-2-3-4-12(13(15)17)18-11-6-5-10(14)7-9(11)8-16/h5-8,12H,2-4H2,1H3,(H2,15,17).
What are the key properties of 2-(4-chloro-2-formylphenoxy)hexanamide?
2-(4-chloro-2-formylphenoxy)hexanamide has a molecular weight of 269.73 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-formylphenoxy)hexanamide is sourced from PubChem (CID 123720613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).