2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide

C20H19F3N6O — CID 9408803

IUPAC2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
SMILESCc1cc(C)c(/C=N\NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1C
InChIInChI=1S/C20H19F3N6O/c1-12-7-14(3)16(8-13(12)2)10-24-25-18(30)11-29-27-19(26-28-29)15-5-4-6-17(9-15)20(21,22)23/h4-10H,11H2,1-3H3,(H,25,30)/b24-10-
InChIKeyIZWBFIQDOJQPEZ-VROXFSQNSA-N
MW416.41 g/mol
LogP3.43
Rot. Bonds5

About 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide

2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide (PubChem CID 9408803) has the molecular formula C20H19F3N6O and a molecular weight of 416.41 g/mol. Its IUPAC name is 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
PubChem CID9408803
Molecular FormulaC20H19F3N6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC Name2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
SMILESCc1cc(C)c(/C=N\NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1C
InChIInChI=1S/C20H19F3N6O/c1-12-7-14(3)16(8-13(12)2)10-24-25-18(30)11-29-27-19(26-28-29)15-5-4-6-17(9-15)20(21,22)23/h4-10H,11H2,1-3H3,(H,25,30)/b24-10-
InChIKeyIZWBFIQDOJQPEZ-VROXFSQNSA-N
XLogP3.43
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.43
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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Related Compounds

N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408832
2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 8524097
N-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408817
N-(2,5-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4798319
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408814
N-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408835
N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4796992
N-pentan-3-yl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4795699
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408810
N-(3-chloro-2-methylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2365775
2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
CID 8681717
N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
CID 9491089

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide (CID 9408803) is 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide is Cc1cc(C)c(/C=N\NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1C.
What is the InChIKey of 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide?
The InChIKey is IZWBFIQDOJQPEZ-VROXFSQNSA-N. The full InChI is InChI=1S/C20H19F3N6O/c1-12-7-14(3)16(8-13(12)2)10-24-25-18(30)11-29-27-19(26-28-29)15-5-4-6-17(9-15)20(21,22)23/h4-10H,11H2,1-3H3,(H,25,30)/b24-10-.
What are the key properties of 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide?
2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide has a molecular weight of 416.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 9408803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).