N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide

C15H14Cl2N4O3 — CID 8990848

IUPACN-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCNC(=O)c1cnccn1
InChIInChI=1S/C15H14Cl2N4O3/c16-10-1-2-13(11(17)7-10)24-9-14(22)20-5-6-21-15(23)12-8-18-3-4-19-12/h1-4,7-8H,5-6,9H2,(H,20,22)(H,21,23)
InChIKeyBMVQZLBCHTWJGL-UHFFFAOYSA-N
MW369.21 g/mol
LogP1.71
Rot. Bonds7

About N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide

N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide (PubChem CID 8990848) has the molecular formula C15H14Cl2N4O3 and a molecular weight of 369.21 g/mol. Its IUPAC name is N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
PubChem CID8990848
Molecular FormulaC15H14Cl2N4O3
Molecular Weight369.21 g/mol
Exact Mass368.04
IUPAC NameN-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCNC(=O)c1cnccn1
InChIInChI=1S/C15H14Cl2N4O3/c16-10-1-2-13(11(17)7-10)24-9-14(22)20-5-6-21-15(23)12-8-18-3-4-19-12/h1-4,7-8H,5-6,9H2,(H,20,22)(H,21,23)
InChIKeyBMVQZLBCHTWJGL-UHFFFAOYSA-N
XLogP1.71
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
CID 6498608
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 108541628
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 110717511
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625
3-bromo-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]benzamide
CID 108539659
N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide
CID 8990873
2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108572858
2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide
CID 89195114
2-(2,4-dichlorophenoxy)-N-(3-pyridin-2-ylpropyl)acetamide
CID 110660985
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide (CID 8990848) is N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide is O=C(COc1ccc(Cl)cc1Cl)NCCNC(=O)c1cnccn1.
What is the InChIKey of N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is BMVQZLBCHTWJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O3/c16-10-1-2-13(11(17)7-10)24-9-14(22)20-5-6-21-15(23)12-8-18-3-4-19-12/h1-4,7-8H,5-6,9H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 369.21 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 8990848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).