3-(2-chloro-6-formylphenoxy)-N-methylpropanamide

C11H12ClNO3 — CID 112611514

IUPAC3-(2-chloro-6-formylphenoxy)-N-methylpropanamide
SMILESCNC(=O)CCOc1c(Cl)cccc1C=O
InChIInChI=1S/C11H12ClNO3/c1-13-10(15)5-6-16-11-8(7-14)3-2-4-9(11)12/h2-4,7H,5-6H2,1H3,(H,13,15)
InChIKeyHOBKWHNSOKYCQG-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.67
Rot. Bonds5

About 3-(2-chloro-6-formylphenoxy)-N-methylpropanamide

3-(2-chloro-6-formylphenoxy)-N-methylpropanamide (PubChem CID 112611514) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 3-(2-chloro-6-formylphenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-chloro-6-formylphenoxy)-N-methylpropanamide
PubChem CID112611514
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name3-(2-chloro-6-formylphenoxy)-N-methylpropanamide
SMILESCNC(=O)CCOc1c(Cl)cccc1C=O
InChIInChI=1S/C11H12ClNO3/c1-13-10(15)5-6-16-11-8(7-14)3-2-4-9(11)12/h2-4,7H,5-6H2,1H3,(H,13,15)
InChIKeyHOBKWHNSOKYCQG-UHFFFAOYSA-N
XLogP1.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.67
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

4-(2-chloro-6-formylphenoxy)-N-methylbutanamide
CID 112611484
3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide
CID 115954742
2-(2-chloro-6-formylphenoxy)acetic acid
CID 91570731
3-chloro-2-(3-ethoxypropoxy)benzaldehyde
CID 112611490
2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide
CID 112611471
2-(2-chloro-6-formylphenoxy)acetamide
CID 112611424
3-chloro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 112611214
3-chloro-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde
CID 112611318
3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide
CID 112611550
3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide
CID 62326853
3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide
CID 107697303
N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide
CID 115955676

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-formylphenoxy)-N-methylpropanamide?
The IUPAC name of 3-(2-chloro-6-formylphenoxy)-N-methylpropanamide (CID 112611514) is 3-(2-chloro-6-formylphenoxy)-N-methylpropanamide.
What is the SMILES notation for 3-(2-chloro-6-formylphenoxy)-N-methylpropanamide?
The canonical SMILES for 3-(2-chloro-6-formylphenoxy)-N-methylpropanamide is CNC(=O)CCOc1c(Cl)cccc1C=O.
What is the InChIKey of 3-(2-chloro-6-formylphenoxy)-N-methylpropanamide?
The InChIKey is HOBKWHNSOKYCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-13-10(15)5-6-16-11-8(7-14)3-2-4-9(11)12/h2-4,7H,5-6H2,1H3,(H,13,15).
What are the key properties of 3-(2-chloro-6-formylphenoxy)-N-methylpropanamide?
3-(2-chloro-6-formylphenoxy)-N-methylpropanamide has a molecular weight of 241.67 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-formylphenoxy)-N-methylpropanamide is sourced from PubChem (CID 112611514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).