2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide

C17H16ClNO3 — CID 17202192

IUPAC2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C=O)cc2Cl)c(C)c1
InChIInChI=1S/C17H16ClNO3/c1-11-3-5-15(12(2)7-11)19-17(21)10-22-16-6-4-13(9-20)8-14(16)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyPIMXXJDTXGRCMN-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.79
Rot. Bonds5

About 2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide

2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 17202192) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide
PubChem CID17202192
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C=O)cc2Cl)c(C)c1
InChIInChI=1S/C17H16ClNO3/c1-11-3-5-15(12(2)7-11)19-17(21)10-22-16-6-4-13(9-20)8-14(16)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyPIMXXJDTXGRCMN-UHFFFAOYSA-N
XLogP3.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.79
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

N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
CID 28913315
2-(2,4-dichlorophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2500686
2-(2-chloro-4-formylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7341227
(Z)-3-[3-chloro-4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide
CID 126260876
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
(E)-3-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 126374850
2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 2827268
(E)-3-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 126266266
(E)-3-[3-chloro-4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 126272417
2-[2-chloro-4-[(Z)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126274212
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
2-[2-chloro-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 2205020

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide (CID 17202192) is 2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(C=O)cc2Cl)c(C)c1.
What is the InChIKey of 2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is PIMXXJDTXGRCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-11-3-5-15(12(2)7-11)19-17(21)10-22-16-6-4-13(9-20)8-14(16)18/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide?
2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 317.77 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 17202192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).