2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide

C18H16BrClF3N3O3 — CID 24615172

IUPAC2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
SMILESCCOc1c(Br)cc(Cl)cc1NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H16BrClF3N3O3/c1-2-29-18-10(19)5-9(20)6-13(18)24-7-14(27)25-8-15(28)26-12-4-3-11(21)16(22)17(12)23/h3-6,24H,2,7-8H2,1H3,(H,25,27)(H,26,28)
InChIKeyFITXXGYDWAIBHW-UHFFFAOYSA-N
MW494.70 g/mol
LogP4.09
Rot. Bonds8

About 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide

2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide (PubChem CID 24615172) has the molecular formula C18H16BrClF3N3O3 and a molecular weight of 494.70 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
PubChem CID24615172
Molecular FormulaC18H16BrClF3N3O3
Molecular Weight494.70 g/mol
Exact Mass493.00
IUPAC Name2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
SMILESCCOc1c(Br)cc(Cl)cc1NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H16BrClF3N3O3/c1-2-29-18-10(19)5-9(20)6-13(18)24-7-14(27)25-8-15(28)26-12-4-3-11(21)16(22)17(12)23/h3-6,24H,2,7-8H2,1H3,(H,25,27)(H,26,28)
InChIKeyFITXXGYDWAIBHW-UHFFFAOYSA-N
XLogP4.09
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.70
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 24615139
2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109008882
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide
CID 24615148
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 134042832
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2527865
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 26159493
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7601440
N'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide
CID 47043076
3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide
CID 26676496
6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide
CID 43704625
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide
CID 60843123
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 46633419

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The IUPAC name of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide (CID 24615172) is 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The canonical SMILES for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide is CCOc1c(Br)cc(Cl)cc1NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The InChIKey is FITXXGYDWAIBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClF3N3O3/c1-2-29-18-10(19)5-9(20)6-13(18)24-7-14(27)25-8-15(28)26-12-4-3-11(21)16(22)17(12)23/h3-6,24H,2,7-8H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide has a molecular weight of 494.70 g/mol, XLogP of 4.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide is sourced from PubChem (CID 24615172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).