3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide

C22H25Cl2N3O3 — CID 24818271

IUPAC3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CC(NC(C)=O)c1ccccc1
InChIInChI=1S/C22H25Cl2N3O3/c1-3-11-27(14-21(29)26-19-10-9-17(23)12-18(19)24)22(30)13-20(25-15(2)28)16-7-5-4-6-8-16/h4-10,12,20H,3,11,13-14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyNHUAPCQDDYGCKT-UHFFFAOYSA-N
MW450.37 g/mol
LogP4.44
Rot. Bonds9

About 3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide

3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide (PubChem CID 24818271) has the molecular formula C22H25Cl2N3O3 and a molecular weight of 450.37 g/mol. Its IUPAC name is 3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide
PubChem CID24818271
Molecular FormulaC22H25Cl2N3O3
Molecular Weight450.37 g/mol
Exact Mass449.13
IUPAC Name3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CC(NC(C)=O)c1ccccc1
InChIInChI=1S/C22H25Cl2N3O3/c1-3-11-27(14-21(29)26-19-10-9-17(23)12-18(19)24)22(30)13-20(25-15(2)28)16-7-5-4-6-8-16/h4-10,12,20H,3,11,13-14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyNHUAPCQDDYGCKT-UHFFFAOYSA-N
XLogP4.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide?
The IUPAC name of 3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide (CID 24818271) is 3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide.
What is the SMILES notation for 3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide?
The canonical SMILES for 3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CC(NC(C)=O)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide?
The InChIKey is NHUAPCQDDYGCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O3/c1-3-11-27(14-21(29)26-19-10-9-17(23)12-18(19)24)22(30)13-20(25-15(2)28)16-7-5-4-6-8-16/h4-10,12,20H,3,11,13-14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide?
3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide has a molecular weight of 450.37 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide is sourced from PubChem (CID 24818271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).