N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide

C23H26Cl2N2O3 — CID 42576438

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)N(CC)CC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C23H26Cl2N2O3/c1-3-6-16-9-11-17(12-10-16)20(28)13-14-22(30)27(4-2)15-21(29)26-23-18(24)7-5-8-19(23)25/h5,7-12H,3-4,6,13-15H2,1-2H3,(H,26,29)
InChIKeyWNNXLWMFKDJYHX-UHFFFAOYSA-N
MW449.38 g/mol
LogP5.40
Rot. Bonds10

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide (PubChem CID 42576438) has the molecular formula C23H26Cl2N2O3 and a molecular weight of 449.38 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide
PubChem CID42576438
Molecular FormulaC23H26Cl2N2O3
Molecular Weight449.38 g/mol
Exact Mass448.13
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)N(CC)CC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C23H26Cl2N2O3/c1-3-6-16-9-11-17(12-10-16)20(28)13-14-22(30)27(4-2)15-21(29)26-23-18(24)7-5-8-19(23)25/h5,7-12H,3-4,6,13-15H2,1-2H3,(H,26,29)
InChIKeyWNNXLWMFKDJYHX-UHFFFAOYSA-N
XLogP5.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.38
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide
CID 25313719
2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 25314063
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-methylsulfonylpropanamide
CID 134034709
4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride
CID 120559498
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide
CID 31713224
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 25315753
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 24553205
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide
CID 31713240
N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide
CID 55457102
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 27718932
2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide
CID 9339826

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide (CID 42576438) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide is CCCc1ccc(C(=O)CCC(=O)N(CC)CC(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide?
The InChIKey is WNNXLWMFKDJYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O3/c1-3-6-16-9-11-17(12-10-16)20(28)13-14-22(30)27(4-2)15-21(29)26-23-18(24)7-5-8-19(23)25/h5,7-12H,3-4,6,13-15H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide has a molecular weight of 449.38 g/mol, XLogP of 5.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide is sourced from PubChem (CID 42576438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).