2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

C19H18Cl2F3N3O2 — CID 2698576

IUPAC2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H18Cl2F3N3O2/c1-2-8-27(10-16(29)26-19-11(20)4-3-5-12(19)21)9-15(28)25-14-7-6-13(22)17(23)18(14)24/h3-7H,2,8-10H2,1H3,(H,25,28)(H,26,29)
InChIKeyCVCVBNMBHLJEAB-UHFFFAOYSA-N
MW448.27 g/mol
LogP4.70
Rot. Bonds8

About 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2698576) has the molecular formula C19H18Cl2F3N3O2 and a molecular weight of 448.27 g/mol. Its IUPAC name is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2698576
Molecular FormulaC19H18Cl2F3N3O2
Molecular Weight448.27 g/mol
Exact Mass447.07
IUPAC Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H18Cl2F3N3O2/c1-2-8-27(10-16(29)26-19-11(20)4-3-5-12(19)21)9-15(28)25-14-7-6-13(22)17(23)18(14)24/h3-7H,2,8-10H2,1H3,(H,25,28)(H,26,29)
InChIKeyCVCVBNMBHLJEAB-UHFFFAOYSA-N
XLogP4.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.27
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 2698576) is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is CVCVBNMBHLJEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F3N3O2/c1-2-8-27(10-16(29)26-19-11(20)4-3-5-12(19)21)9-15(28)25-14-7-6-13(22)17(23)18(14)24/h3-7H,2,8-10H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 448.27 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2698576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).