2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide

C17H16ClNO4 — CID 895523

IUPAC2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide
SMILESCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C17H16ClNO4/c1-11-4-3-5-13(6-11)19-16(21)10-23-17-14(18)7-12(9-20)8-15(17)22-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyOSTYEPVTUWCEKS-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.49
Rot. Bonds6

About 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide

2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide (PubChem CID 895523) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide
PubChem CID895523
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide
SMILESCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C17H16ClNO4/c1-11-4-3-5-13(6-11)19-16(21)10-23-17-14(18)7-12(9-20)8-15(17)22-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyOSTYEPVTUWCEKS-UHFFFAOYSA-N
XLogP3.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.49
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-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126206153
2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126220627
[2-(3-methylanilino)-2-oxoethyl] (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoate
CID 7683997
2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7706853
N-[(E)-[3-chloro-5-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126262439
(E)-3-[3-chloro-5-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 126387965
(E)-3-[3-chloro-5-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 126053676
2-(2-chloro-6-ethoxy-4-formylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 28913481
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 28913450
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 28913373
2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126224022
(E)-3-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 126257455

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide (CID 895523) is 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide is COc1cc(C=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide?
The InChIKey is OSTYEPVTUWCEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-11-4-3-5-13(6-11)19-16(21)10-23-17-14(18)7-12(9-20)8-15(17)22-2/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide?
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide has a molecular weight of 333.77 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 895523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).