(Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide

C20H13ClFN5O2 — CID 55796584

IUPAC(Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C20H13ClFN5O2/c21-16-9-8-14(11-17(16)22)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-
InChIKeyCQXASEUKPLRUKE-PDGQHHTCSA-N
MW409.81 g/mol
LogP4.36
Rot. Bonds5

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

(Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide (PubChem CID 55796584) has the molecular formula C20H13ClFN5O2 and a molecular weight of 409.81 g/mol. Its IUPAC name is (Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
PubChem CID55796584
Molecular FormulaC20H13ClFN5O2
Molecular Weight409.81 g/mol
Exact Mass409.07
IUPAC Name(Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C20H13ClFN5O2/c21-16-9-8-14(11-17(16)22)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-
InChIKeyCQXASEUKPLRUKE-PDGQHHTCSA-N
XLogP4.36
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.81
LogP ≤ 54.36
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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Related Compounds

1-[1-(4-chlorophenyl)-1H-tetrazol-5-yl]-N-(furan-2-ylmethyl)cyclohexanamine
CID 45600324
(Z)-N-(2,5-difluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 18283418
(Z)-N-(4-acetylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 8495122
N-(4-chlorophenyl)-2-{[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 2042102
[2-Oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 3428993
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (E)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 5823605
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 6513259
(Z)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 8494237
(Z)-N-(4-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 8495831
(Z)-N-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 8571111
(Z)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 8572625
(Z)-N-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 8572872

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide (CID 55796584) is (Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide is O=C(Nc1ccc(Cl)c(F)c1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1.
What is the InChIKey of (Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
The InChIKey is CQXASEUKPLRUKE-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H13ClFN5O2/c21-16-9-8-14(11-17(16)22)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-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
(Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide has a molecular weight of 409.81 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide is sourced from PubChem (CID 55796584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).