2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide

C19H19ClF3N3O2 — CID 55437591

IUPAC2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CNc1ccccc1Cl
InChIInChI=1S/C19H19ClF3N3O2/c1-2-9-26(17(28)10-24-14-6-4-3-5-12(14)20)11-16(27)25-15-8-7-13(21)18(22)19(15)23/h3-8,24H,2,9-11H2,1H3,(H,25,27)
InChIKeyKAFQCNJDPNSUCK-UHFFFAOYSA-N
MW413.83 g/mol
LogP4.05
Rot. Bonds8

About 2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide

2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide (PubChem CID 55437591) has the molecular formula C19H19ClF3N3O2 and a molecular weight of 413.83 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
PubChem CID55437591
Molecular FormulaC19H19ClF3N3O2
Molecular Weight413.83 g/mol
Exact Mass413.11
IUPAC Name2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CNc1ccccc1Cl
InChIInChI=1S/C19H19ClF3N3O2/c1-2-9-26(17(28)10-24-14-6-4-3-5-12(14)20)11-16(27)25-15-8-7-13(21)18(22)19(15)23/h3-8,24H,2,9-11H2,1H3,(H,25,27)
InChIKeyKAFQCNJDPNSUCK-UHFFFAOYSA-N
XLogP4.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 54.05
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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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24677447
N,N-dipropyl-2-(2,3,4-trifluoroanilino)acetamide
CID 109006692
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24509284
2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 29403471
2-ethylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 55382888
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221961
2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7937851
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
4-iodo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773080
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyridine-4-carboxamide
CID 27773073
2-[(2-methylphenyl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 24566253
2-nitro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 51143517

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide (CID 55437591) is 2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CNc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
The InChIKey is KAFQCNJDPNSUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O2/c1-2-9-26(17(28)10-24-14-6-4-3-5-12(14)20)11-16(27)25-15-8-7-13(21)18(22)19(15)23/h3-8,24H,2,9-11H2,1H3,(H,25,27).
What are the key properties of 2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide has a molecular weight of 413.83 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide is sourced from PubChem (CID 55437591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).