(Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide

C20H13F2N5O2 — CID 18283418

IUPAC(Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
SMILESO=C(Nc1cc(F)ccc1F)/C(=C/c1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C20H13F2N5O2/c21-14-8-9-16(22)17(11-14)23-20(28)18(12-15-7-4-10-29-15)27-19(24-25-26-27)13-5-2-1-3-6-13/h1-12H,(H,23,28)/b18-12-
InChIKeyFELBSFQDLWGUOA-PDGQHHTCSA-N
MW393.35 g/mol
LogP3.85
Rot. Bonds5

About (Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide

(Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide (PubChem CID 18283418) has the molecular formula C20H13F2N5O2 and a molecular weight of 393.35 g/mol. Its IUPAC name is (Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
PubChem CID18283418
Molecular FormulaC20H13F2N5O2
Molecular Weight393.35 g/mol
Exact Mass393.10
IUPAC Name(Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
SMILESO=C(Nc1cc(F)ccc1F)/C(=C/c1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C20H13F2N5O2/c21-14-8-9-16(22)17(11-14)23-20(28)18(12-15-7-4-10-29-15)27-19(24-25-26-27)13-5-2-1-3-6-13/h1-12H,(H,23,28)/b18-12-
InChIKeyFELBSFQDLWGUOA-PDGQHHTCSA-N
XLogP3.85
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide (CID 18283418) is (Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide is O=C(Nc1cc(F)ccc1F)/C(=C/c1ccco1)n1nnnc1-c1ccccc1.
What is the InChIKey of (Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
The InChIKey is FELBSFQDLWGUOA-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H13F2N5O2/c21-14-8-9-16(22)17(11-14)23-20(28)18(12-15-7-4-10-29-15)27-19(24-25-26-27)13-5-2-1-3-6-13/h1-12H,(H,23,28)/b18-12-.
What are the key properties of (Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
(Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide has a molecular weight of 393.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide is sourced from PubChem (CID 18283418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).