N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-methylfuran-2-carboxamide

C13H12Cl2N2O3 — CID 71917507

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2O3/c1-8-2-4-19-11(8)12(18)16-3-5-20-13-10(15)6-9(14)7-17-13/h2,4,6-7H,3,5H2,1H3,(H,16,18)
InChIKeyJMPRBSBCASDSSO-UHFFFAOYSA-N
MW315.16 g/mol
LogP3.10
Rot. Bonds5

About N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-methylfuran-2-carboxamide

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-methylfuran-2-carboxamide (PubChem CID 71917507) has the molecular formula C13H12Cl2N2O3 and a molecular weight of 315.16 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-methylfuran-2-carboxamide
PubChem CID71917507
Molecular FormulaC13H12Cl2N2O3
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2O3/c1-8-2-4-19-11(8)12(18)16-3-5-20-13-10(15)6-9(14)7-17-13/h2,4,6-7H,3,5H2,1H3,(H,16,18)
InChIKeyJMPRBSBCASDSSO-UHFFFAOYSA-N
XLogP3.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-methylfuran-2-carboxamide (CID 71917507) is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCCOc1ncc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-methylfuran-2-carboxamide?
The InChIKey is JMPRBSBCASDSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3/c1-8-2-4-19-11(8)12(18)16-3-5-20-13-10(15)6-9(14)7-17-13/h2,4,6-7H,3,5H2,1H3,(H,16,18).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-methylfuran-2-carboxamide?
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-methylfuran-2-carboxamide has a molecular weight of 315.16 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 71917507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).