(Z)-N-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide

C21H16FN5O2 — CID 8571111

IUPAC(Z)-N-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
SMILESCc1cc(F)ccc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C21H16FN5O2/c1-14-12-16(22)9-10-18(14)23-21(28)19(13-17-8-5-11-29-17)27-20(24-25-26-27)15-6-3-2-4-7-15/h2-13H,1H3,(H,23,28)/b19-13-
InChIKeyDOYYHYNODJZUFY-UYRXBGFRSA-N
MW389.39 g/mol
LogP4.02
Rot. Bonds5

About (Z)-N-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide

(Z)-N-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide (PubChem CID 8571111) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is (Z)-N-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
PubChem CID8571111
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name(Z)-N-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
SMILESCc1cc(F)ccc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C21H16FN5O2/c1-14-12-16(22)9-10-18(14)23-21(28)19(13-17-8-5-11-29-17)27-20(24-25-26-27)15-6-3-2-4-7-15/h2-13H,1H3,(H,23,28)/b19-13-
InChIKeyDOYYHYNODJZUFY-UYRXBGFRSA-N
XLogP4.02
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.02
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-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide (CID 8571111) is (Z)-N-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide is Cc1cc(F)ccc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1.
What is the InChIKey of (Z)-N-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
The InChIKey is DOYYHYNODJZUFY-UYRXBGFRSA-N. The full InChI is InChI=1S/C21H16FN5O2/c1-14-12-16(22)9-10-18(14)23-21(28)19(13-17-8-5-11-29-17)27-20(24-25-26-27)15-6-3-2-4-7-15/h2-13H,1H3,(H,23,28)/b19-13-.
What are the key properties of (Z)-N-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
(Z)-N-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide has a molecular weight of 389.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide is sourced from PubChem (CID 8571111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).