4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide

C20H22Cl2N2O4 — CID 17218213

IUPAC4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O4/c1-27-12-10-23-20(26)14-4-7-16(8-5-14)24-19(25)3-2-11-28-18-9-6-15(21)13-17(18)22/h4-9,13H,2-3,10-12H2,1H3,(H,23,26)(H,24,25)
InChIKeyDDBFMVGXOHMABI-UHFFFAOYSA-N
MW425.31 g/mol
LogP4.17
Rot. Bonds10

About 4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide

4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 17218213) has the molecular formula C20H22Cl2N2O4 and a molecular weight of 425.31 g/mol. Its IUPAC name is 4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide
PubChem CID17218213
Molecular FormulaC20H22Cl2N2O4
Molecular Weight425.31 g/mol
Exact Mass424.10
IUPAC Name4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O4/c1-27-12-10-23-20(26)14-4-7-16(8-5-14)24-19(25)3-2-11-28-18-9-6-15(21)13-17(18)22/h4-9,13H,2-3,10-12H2,1H3,(H,23,26)(H,24,25)
InChIKeyDDBFMVGXOHMABI-UHFFFAOYSA-N
XLogP4.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide
CID 55878941
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218208
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
CID 4926287
4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide
CID 7934807
4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
CID 108741099
methyl N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]sulfonylcarbamate
CID 25120990
4-(2,4-dichlorophenoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]butanamide
CID 17340529
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218233

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide (CID 17218213) is 4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is DDBFMVGXOHMABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4/c1-27-12-10-23-20(26)14-4-7-16(8-5-14)24-19(25)3-2-11-28-18-9-6-15(21)13-17(18)22/h4-9,13H,2-3,10-12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide?
4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 425.31 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 17218213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).