2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide

C13H16Cl2N2O3 — CID 113179416

IUPAC2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C(C)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3/c1-9(18)17(8-13(19)16-5-6-20-2)10-3-4-11(14)12(15)7-10/h3-4,7H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyAOUPAGWTLXJJRG-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.11
Rot. Bonds6

About 2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide

2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 113179416) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide
PubChem CID113179416
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C(C)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3/c1-9(18)17(8-13(19)16-5-6-20-2)10-3-4-11(14)12(15)7-10/h3-4,7H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyAOUPAGWTLXJJRG-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide
CID 113174824
2-(N,4-diacetylanilino)-N-(2-methoxyethyl)acetamide
CID 113175557
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113178398
methyl N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]carbamate
CID 113063574
2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide
CID 113175889
2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide
CID 113179470
2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113172208
2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172179
2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide
CID 113172202
3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide
CID 113127188
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113172682
methyl 3-[acetyl-[2-(3-methoxypropylamino)-2-oxoethyl]amino]-4-chlorobenzoate
CID 113176515

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide (CID 113179416) is 2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C(C)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is AOUPAGWTLXJJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-9(18)17(8-13(19)16-5-6-20-2)10-3-4-11(14)12(15)7-10/h3-4,7H,5-6,8H2,1-2H3,(H,16,19).
What are the key properties of 2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide?
2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 319.19 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 113179416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).