N-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide

C18H15ClN6O — CID 155557770

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(/C=C/c2ccccc2)n1)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN6O/c19-16-9-6-15(7-10-16)12-20-22-18(26)13-25-23-17(21-24-25)11-8-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,26)/b11-8+,20-12+
InChIKeyHQYYPCCTYHXZFC-JOESBUEISA-N
MW366.81 g/mol
LogP2.65
Rot. Bonds6

About N-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide

N-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide (PubChem CID 155557770) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide
PubChem CID155557770
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(/C=C/c2ccccc2)n1)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN6O/c19-16-9-6-15(7-10-16)12-20-22-18(26)13-25-23-17(21-24-25)11-8-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,26)/b11-8+,20-12+
InChIKeyHQYYPCCTYHXZFC-JOESBUEISA-N
XLogP2.65
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide (CID 155557770) is N-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide is O=C(Cn1nnc(/C=C/c2ccccc2)n1)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide?
The InChIKey is HQYYPCCTYHXZFC-JOESBUEISA-N. The full InChI is InChI=1S/C18H15ClN6O/c19-16-9-6-15(7-10-16)12-20-22-18(26)13-25-23-17(21-24-25)11-8-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,26)/b11-8+,20-12+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide has a molecular weight of 366.81 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 155557770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).