N-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

C17H19F3N6O — CID 9408835

IUPACN-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N/N=C\C1CCCCC1
InChIInChI=1S/C17H19F3N6O/c18-17(19,20)14-8-4-7-13(9-14)16-23-25-26(24-16)11-15(27)22-21-10-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,22,27)/b21-10-
InChIKeyWFZNRARZLGIELD-FBHDLOMBSA-N
MW380.37 g/mol
LogP3.04
Rot. Bonds5

About N-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

N-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 9408835) has the molecular formula C17H19F3N6O and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID9408835
Molecular FormulaC17H19F3N6O
Molecular Weight380.37 g/mol
Exact Mass380.16
IUPAC NameN-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N/N=C\C1CCCCC1
InChIInChI=1S/C17H19F3N6O/c18-17(19,20)14-8-4-7-13(9-14)16-23-25-26(24-16)11-15(27)22-21-10-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,22,27)/b21-10-
InChIKeyWFZNRARZLGIELD-FBHDLOMBSA-N
XLogP3.04
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.04
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)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408810
N-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408817
2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 9408803
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408832
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408814
2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
CID 8681717
N-pentan-3-yl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4795699
N-(2,5-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4798319
N-(1,3-benzodioxol-5-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 1265779
N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
CID 9491089
N,N-dimethyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 8868431
N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4796992

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (CID 9408835) is N-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N/N=C\C1CCCCC1.
What is the InChIKey of N-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is WFZNRARZLGIELD-FBHDLOMBSA-N. The full InChI is InChI=1S/C17H19F3N6O/c18-17(19,20)14-8-4-7-13(9-14)16-23-25-26(24-16)11-15(27)22-21-10-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,22,27)/b21-10-.
What are the key properties of N-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
N-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 380.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 9408835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).