[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

C14H11Cl2N3O5 — CID 7879666

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1ccco1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O5/c15-8-4-9(16)13(17-5-8)19-11(20)7-24-12(21)6-18-14(22)10-2-1-3-23-10/h1-5H,6-7H2,(H,18,22)(H,17,19,20)
InChIKeyWAEAXAVQOLYLPU-UHFFFAOYSA-N
MW372.16 g/mol
LogP1.89
Rot. Bonds6

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 7879666) has the molecular formula C14H11Cl2N3O5 and a molecular weight of 372.16 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
PubChem CID7879666
Molecular FormulaC14H11Cl2N3O5
Molecular Weight372.16 g/mol
Exact Mass371.01
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1ccco1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O5/c15-8-4-9(16)13(17-5-8)19-11(20)7-24-12(21)6-18-14(22)10-2-1-3-23-10/h1-5H,6-7H2,(H,18,22)(H,17,19,20)
InChIKeyWAEAXAVQOLYLPU-UHFFFAOYSA-N
XLogP1.89
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (CID 7879666) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is O=C(COC(=O)CNC(=O)c1ccco1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is WAEAXAVQOLYLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O5/c15-8-4-9(16)13(17-5-8)19-11(20)7-24-12(21)6-18-14(22)10-2-1-3-23-10/h1-5H,6-7H2,(H,18,22)(H,17,19,20).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 372.16 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 7879666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).