(Z)-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-phenylprop-2-enamide

C17H14ClN5O — CID 16799247

IUPAC(Z)-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NCc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN5O/c18-14-7-9-15(10-8-14)23-16(20-21-22-23)12-19-17(24)11-6-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,24)/b11-6-
InChIKeyKFUQFFZUPMZIAQ-WDZFZDKYSA-N
MW339.79 g/mol
LogP2.65
Rot. Bonds5

About (Z)-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-phenylprop-2-enamide

(Z)-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-phenylprop-2-enamide (PubChem CID 16799247) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is (Z)-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-phenylprop-2-enamide
PubChem CID16799247
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name(Z)-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NCc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN5O/c18-14-7-9-15(10-8-14)23-16(20-21-22-23)12-19-17(24)11-6-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,24)/b11-6-
InChIKeyKFUQFFZUPMZIAQ-WDZFZDKYSA-N
XLogP2.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.65
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 (Z)-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-phenylprop-2-enamide (CID 16799247) is (Z)-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-phenylprop-2-enamide is O=C(/C=C\c1ccccc1)NCc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of (Z)-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-phenylprop-2-enamide?
The InChIKey is KFUQFFZUPMZIAQ-WDZFZDKYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-14-7-9-15(10-8-14)23-16(20-21-22-23)12-19-17(24)11-6-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,24)/b11-6-.
What are the key properties of (Z)-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-phenylprop-2-enamide?
(Z)-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-phenylprop-2-enamide has a molecular weight of 339.79 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 16799247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).