2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide

C13H16ClNO4 — CID 113438774

IUPAC2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1c(C=O)cc(Cl)cc1OC
InChIInChI=1S/C13H16ClNO4/c1-3-4-15-12(17)8-19-13-9(7-16)5-10(14)6-11(13)18-2/h5-7H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyDTMQWHQRSMUZJS-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.07
Rot. Bonds7

About 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide

2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide (PubChem CID 113438774) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide
PubChem CID113438774
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1c(C=O)cc(Cl)cc1OC
InChIInChI=1S/C13H16ClNO4/c1-3-4-15-12(17)8-19-13-9(7-16)5-10(14)6-11(13)18-2/h5-7H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyDTMQWHQRSMUZJS-UHFFFAOYSA-N
XLogP2.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.07
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

2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide
CID 104665319
2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide
CID 104665459
2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide
CID 104664816
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide
CID 43622439
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
(E)-3-[3,5-dichloro-2-[2-oxo-2-(propylamino)ethoxy]phenyl]prop-2-enoic acid
CID 43516454
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 43589731
3-(4-chloro-2-formyl-6-methoxyphenoxy)-2,2-dimethylpropanoic acid
CID 113438784
5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde
CID 104665382
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-cyanoethyl)acetamide
CID 28897847
4-(4-chloro-2-formyl-6-methoxyphenoxy)-N,N-dimethylbutanamide
CID 104665290
[2-oxo-2-(propylamino)ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 17497937

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide?
The IUPAC name of 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide (CID 113438774) is 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide?
The canonical SMILES for 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide is CCCNC(=O)COc1c(C=O)cc(Cl)cc1OC.
What is the InChIKey of 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide?
The InChIKey is DTMQWHQRSMUZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-3-4-15-12(17)8-19-13-9(7-16)5-10(14)6-11(13)18-2/h5-7H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide?
2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide has a molecular weight of 285.73 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide is sourced from PubChem (CID 113438774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).