3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide

C20H20ClF3N2O4 — CID 26730465

IUPAC3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C20H20ClF3N2O4/c1-4-7-26(10-16(27)25-14-6-5-13(22)17(23)18(14)24)20(28)11-8-12(21)19(30-3)15(9-11)29-2/h5-6,8-9H,4,7,10H2,1-3H3,(H,25,27)
InChIKeyGKLCQVANXMVMFI-UHFFFAOYSA-N
MW444.84 g/mol
LogP4.27
Rot. Bonds8

About 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide

3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide (PubChem CID 26730465) has the molecular formula C20H20ClF3N2O4 and a molecular weight of 444.84 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
PubChem CID26730465
Molecular FormulaC20H20ClF3N2O4
Molecular Weight444.84 g/mol
Exact Mass444.11
IUPAC Name3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C20H20ClF3N2O4/c1-4-7-26(10-16(27)25-14-6-5-13(22)17(23)18(14)24)20(28)11-8-12(21)19(30-3)15(9-11)29-2/h5-6,8-9H,4,7,10H2,1-3H3,(H,25,27)
InChIKeyGKLCQVANXMVMFI-UHFFFAOYSA-N
XLogP4.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773146
3,4-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 112790057
methyl 3-nitro-5-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylcarbamoyl]benzoate
CID 27773093
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-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26730530
2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 112790031
4-ethoxy-3-nitro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 46554944
3-acetamido-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773105
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 27773087
3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide
CID 26676496
2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24677447

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide (CID 26730465) is 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide?
The InChIKey is GKLCQVANXMVMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O4/c1-4-7-26(10-16(27)25-14-6-5-13(22)17(23)18(14)24)20(28)11-8-12(21)19(30-3)15(9-11)29-2/h5-6,8-9H,4,7,10H2,1-3H3,(H,25,27).
What are the key properties of 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide?
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide has a molecular weight of 444.84 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide is sourced from PubChem (CID 26730465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).