N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide

C18H18ClNO4 — CID 4770105

IUPACN-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C18H18ClNO4/c1-3-23-17-8-13(10-21)5-7-16(17)24-11-18(22)20-14-6-4-12(2)15(19)9-14/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyNHHBCBZRBIWNKG-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.88
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide

N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide (PubChem CID 4770105) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
PubChem CID4770105
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C18H18ClNO4/c1-3-23-17-8-13(10-21)5-7-16(17)24-11-18(22)20-14-6-4-12(2)15(19)9-14/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyNHHBCBZRBIWNKG-UHFFFAOYSA-N
XLogP3.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.88
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

N-(3-chloro-4-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611638
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887
N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide
CID 126209044
2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273143
N-(3-chloro-4-methylphenyl)-2-[4-[(2,3-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide
CID 126209773
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
N-[(2S)-butan-2-yl]-N'-[(Z)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126275389
N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 7662824
2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337
2-(2-ethoxy-4-formylphenoxy)-N-(3-fluorophenyl)acetamide
CID 8009500
N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1249428
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 2994045

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide (CID 4770105) is N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide is CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide?
The InChIKey is NHHBCBZRBIWNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-3-23-17-8-13(10-21)5-7-16(17)24-11-18(22)20-14-6-4-12(2)15(19)9-14/h4-10H,3,11H2,1-2H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide?
N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide has a molecular weight of 347.80 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide is sourced from PubChem (CID 4770105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).