[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate

C15H13Cl2N3O3 — CID 6915245

IUPAC[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OC(C)C(=O)Nc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C15H13Cl2N3O3/c1-8-6-19-13(7-18-8)15(22)23-9(2)14(21)20-12-4-3-10(16)5-11(12)17/h3-7,9H,1-2H3,(H,20,21)
InChIKeyWHHJYDMZQKXKKP-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.28
Rot. Bonds4

About [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate

[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate (PubChem CID 6915245) has the molecular formula C15H13Cl2N3O3 and a molecular weight of 354.19 g/mol. Its IUPAC name is [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
PubChem CID6915245
Molecular FormulaC15H13Cl2N3O3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC Name[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OC(C)C(=O)Nc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C15H13Cl2N3O3/c1-8-6-19-13(7-18-8)15(22)23-9(2)14(21)20-12-4-3-10(16)5-11(12)17/h3-7,9H,1-2H3,(H,20,21)
InChIKeyWHHJYDMZQKXKKP-UHFFFAOYSA-N
XLogP3.28
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7950106
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 8017356
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 51478032
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2437550
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] benzoate
CID 2516751
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7835026
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 5003205
[1-(4-fluoroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 18078044
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 55391508
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 2587142
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 4266823
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 2386762

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate (CID 6915245) is [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OC(C)C(=O)Nc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
The InChIKey is WHHJYDMZQKXKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O3/c1-8-6-19-13(7-18-8)15(22)23-9(2)14(21)20-12-4-3-10(16)5-11(12)17/h3-7,9H,1-2H3,(H,20,21).
What are the key properties of [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate has a molecular weight of 354.19 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 6915245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).