N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

C17H17F3N6O — CID 9408810

IUPACN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N/N=C\[C@@H]1CC=CCC1
InChIInChI=1S/C17H17F3N6O/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/h1-2,4,7-10,12H,3,5-6,11H2,(H,22,27)/b21-10-/t12-/m1/s1
InChIKeyXFZDXBINNKUJFC-RRSAXVHRSA-N
MW378.36 g/mol
LogP2.82
Rot. Bonds5

About N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 9408810) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID9408810
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC NameN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N/N=C\[C@@H]1CC=CCC1
InChIInChI=1S/C17H17F3N6O/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/h1-2,4,7-10,12H,3,5-6,11H2,(H,22,27)/b21-10-/t12-/m1/s1
InChIKeyXFZDXBINNKUJFC-RRSAXVHRSA-N
XLogP2.82
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408835
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,N-dimethyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 8868431
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-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 16596840

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (CID 9408810) is N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N/N=C\[C@@H]1CC=CCC1.
What is the InChIKey of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is XFZDXBINNKUJFC-RRSAXVHRSA-N. The full InChI is InChI=1S/C17H17F3N6O/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/h1-2,4,7-10,12H,3,5-6,11H2,(H,22,27)/b21-10-/t12-/m1/s1.
What are the key properties of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 378.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 9408810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).