[2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate

C14H7Cl3F2N2O3 — CID 4270126

IUPAC[2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESO=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H7Cl3F2N2O3/c15-7-4-20-13(12(17)11(7)16)14(23)24-5-10(22)21-6-1-2-8(18)9(19)3-6/h1-4H,5H2,(H,21,22)
InChIKeyMQECGCWUSNWGAA-UHFFFAOYSA-N
MW395.58 g/mol
LogP4.12
Rot. Bonds4

About [2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate

[2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate (PubChem CID 4270126) has the molecular formula C14H7Cl3F2N2O3 and a molecular weight of 395.58 g/mol. Its IUPAC name is [2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
PubChem CID4270126
Molecular FormulaC14H7Cl3F2N2O3
Molecular Weight395.58 g/mol
Exact Mass393.95
IUPAC Name[2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESO=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H7Cl3F2N2O3/c15-7-4-20-13(12(17)11(7)16)14(23)24-5-10(22)21-6-1-2-8(18)9(19)3-6/h1-4H,5H2,(H,21,22)
InChIKeyMQECGCWUSNWGAA-UHFFFAOYSA-N
XLogP4.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.58
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetylanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2485001
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4257818
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 16508938
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 41156292
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 16508965
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2571708
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2099248
[2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4539118
[2-(3,4-difluoroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872964
2-(2,5-dichlorophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7185406
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507903
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2484863

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate (CID 4270126) is [2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate.
What is the SMILES notation for [2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The canonical SMILES for [2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate is O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)Nc1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The InChIKey is MQECGCWUSNWGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3F2N2O3/c15-7-4-20-13(12(17)11(7)16)14(23)24-5-10(22)21-6-1-2-8(18)9(19)3-6/h1-4H,5H2,(H,21,22).
What are the key properties of [2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
[2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate has a molecular weight of 395.58 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate is sourced from PubChem (CID 4270126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).