2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

C14H15ClF3N7O — CID 155587999

IUPAC2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCN(C)N=CCc1c(C(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C14H15ClF3N7O/c1-24(2)19-7-6-8-10(14(16,17)18)5-4-9(11(8)15)12(26)20-13-21-22-23-25(13)3/h4-5,7H,6H2,1-3H3,(H,20,21,23,26)
InChIKeySSEHTRGVTQTKSK-UHFFFAOYSA-N
MW389.77 g/mol
LogP2.22
Rot. Bonds5

About 2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 155587999) has the molecular formula C14H15ClF3N7O and a molecular weight of 389.77 g/mol. Its IUPAC name is 2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID155587999
Molecular FormulaC14H15ClF3N7O
Molecular Weight389.77 g/mol
Exact Mass389.10
IUPAC Name2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCN(C)N=CCc1c(C(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C14H15ClF3N7O/c1-24(2)19-7-6-8-10(14(16,17)18)5-4-9(11(8)15)12(26)20-13-21-22-23-25(13)3/h4-5,7H,6H2,1-3H3,(H,20,21,23,26)
InChIKeySSEHTRGVTQTKSK-UHFFFAOYSA-N
XLogP2.22
TPSA88.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 155587999) is 2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is CN(C)N=CCc1c(C(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1Cl.
What is the InChIKey of 2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is SSEHTRGVTQTKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N7O/c1-24(2)19-7-6-8-10(14(16,17)18)5-4-9(11(8)15)12(26)20-13-21-22-23-25(13)3/h4-5,7H,6H2,1-3H3,(H,20,21,23,26).
What are the key properties of 2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 389.77 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 155587999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).