2-[[2-(3,5-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

C19H18Cl2F3N3O2 — CID 2698568

IUPAC2-[[2-(3,5-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H18Cl2F3N3O2/c1-2-5-27(9-16(28)25-13-7-11(20)6-12(21)8-13)10-17(29)26-15-4-3-14(22)18(23)19(15)24/h3-4,6-8H,2,5,9-10H2,1H3,(H,25,28)(H,26,29)
InChIKeyTYDPCFOMBQFAFW-UHFFFAOYSA-N
MW448.27 g/mol
LogP4.70
Rot. Bonds8

About 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(3,5-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2698568) has the molecular formula C19H18Cl2F3N3O2 and a molecular weight of 448.27 g/mol. Its IUPAC name is 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3,5-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2698568
Molecular FormulaC19H18Cl2F3N3O2
Molecular Weight448.27 g/mol
Exact Mass447.07
IUPAC Name2-[[2-(3,5-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H18Cl2F3N3O2/c1-2-5-27(9-16(28)25-13-7-11(20)6-12(21)8-13)10-17(29)26-15-4-3-14(22)18(23)19(15)24/h3-4,6-8H,2,5,9-10H2,1H3,(H,25,28)(H,26,29)
InChIKeyTYDPCFOMBQFAFW-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-(3,5-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 2698568) is 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is CCCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is TYDPCFOMBQFAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F3N3O2/c1-2-5-27(9-16(28)25-13-7-11(20)6-12(21)8-13)10-17(29)26-15-4-3-14(22)18(23)19(15)24/h3-4,6-8H,2,5,9-10H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(3,5-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-(3,5-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2698568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).