[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

C14H10Cl2N2O4 — CID 2381087

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccco1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O4/c15-9-6-11(16)14(17-7-9)18-12(19)8-22-13(20)4-3-10-2-1-5-21-10/h1-7H,8H2,(H,17,18,19)/b4-3+
InChIKeySNBAMDJCPAKVRN-ONEGZZNKSA-N
MW341.15 g/mol
LogP3.18
Rot. Bonds5

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 2381087) has the molecular formula C14H10Cl2N2O4 and a molecular weight of 341.15 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID2381087
Molecular FormulaC14H10Cl2N2O4
Molecular Weight341.15 g/mol
Exact Mass340.00
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccco1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O4/c15-9-6-11(16)14(17-7-9)18-12(19)8-22-13(20)4-3-10-2-1-5-21-10/h1-7H,8H2,(H,17,18,19)/b4-3+
InChIKeySNBAMDJCPAKVRN-ONEGZZNKSA-N
XLogP3.18
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 2381087) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is O=C(COC(=O)/C=C/c1ccco1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is SNBAMDJCPAKVRN-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4/c15-9-6-11(16)14(17-7-9)18-12(19)8-22-13(20)4-3-10-2-1-5-21-10/h1-7H,8H2,(H,17,18,19)/b4-3+.
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 341.15 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 2381087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).