[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate

C16H14Cl2N4O4 — CID 9196476

IUPAC[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cnccn1
InChIInChI=1S/C16H14Cl2N4O4/c1-22(8-14(23)21-10-2-3-11(17)12(18)6-10)15(24)9-26-16(25)13-7-19-4-5-20-13/h2-7H,8-9H2,1H3,(H,21,23)
InChIKeyHIEFHTGGOYDOMX-UHFFFAOYSA-N
MW397.22 g/mol
LogP2.04
Rot. Bonds6

About [2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 9196476) has the molecular formula C16H14Cl2N4O4 and a molecular weight of 397.22 g/mol. Its IUPAC name is [2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID9196476
Molecular FormulaC16H14Cl2N4O4
Molecular Weight397.22 g/mol
Exact Mass396.04
IUPAC Name[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cnccn1
InChIInChI=1S/C16H14Cl2N4O4/c1-22(8-14(23)21-10-2-3-11(17)12(18)6-10)15(24)9-26-16(25)13-7-19-4-5-20-13/h2-7H,8-9H2,1H3,(H,21,23)
InChIKeyHIEFHTGGOYDOMX-UHFFFAOYSA-N
XLogP2.04
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate
CID 5035630
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2498020
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 9417366
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021525
[2-(4-bromo-3-methylanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2433474
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2487559
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2484863
N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 39093599
[2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985770
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985432
[2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2119071
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 9494044

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate (CID 9196476) is [2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cnccn1.
What is the InChIKey of [2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is HIEFHTGGOYDOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O4/c1-22(8-14(23)21-10-2-3-11(17)12(18)6-10)15(24)9-26-16(25)13-7-19-4-5-20-13/h2-7H,8-9H2,1H3,(H,21,23).
What are the key properties of [2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 397.22 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 9196476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).