N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide

C17H16ClNO4 — CID 28913395

IUPACN-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
SMILESCOc1ccc(C=O)cc1OCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C17H16ClNO4/c1-11-13(18)4-3-5-14(11)19-17(21)10-23-16-8-12(9-20)6-7-15(16)22-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyNKMAMAHVBIDCIM-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.49
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide

N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide (PubChem CID 28913395) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
PubChem CID28913395
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
SMILESCOc1ccc(C=O)cc1OCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C17H16ClNO4/c1-11-13(18)4-3-5-14(11)19-17(21)10-23-16-8-12(9-20)6-7-15(16)22-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyNKMAMAHVBIDCIM-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-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 7611792
[2-(3-chloro-2-methylanilino)-2-oxoethyl] (E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 7791005
2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 7894136
N-(3-chloro-4-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611638
N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 978026
N-(5-formyl-2-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 94762984
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 3955556
N-(3-chloro-4-fluorophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611560
N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743749
N-(2-ethoxy-5-formylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 82156183
N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611543

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide (CID 28913395) is N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide is COc1ccc(C=O)cc1OCC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide?
The InChIKey is NKMAMAHVBIDCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-11-13(18)4-3-5-14(11)19-17(21)10-23-16-8-12(9-20)6-7-15(16)22-2/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide?
N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)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 N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 28913395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).