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

C13H13ClF3N7O — CID 155588007

IUPAC2-chloro-3-[(dimethylhydrazinylidene)methyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCN(C)N=Cc1c(C(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C13H13ClF3N7O/c1-23(2)18-6-8-9(13(15,16)17)5-4-7(10(8)14)11(25)19-12-20-21-22-24(12)3/h4-6H,1-3H3,(H,19,20,22,25)
InChIKeyJARPGLRRGZIDOQ-UHFFFAOYSA-N
MW375.74 g/mol
LogP2.03
Rot. Bonds4

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

2-chloro-3-[(dimethylhydrazinylidene)methyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 155588007) has the molecular formula C13H13ClF3N7O and a molecular weight of 375.74 g/mol. Its IUPAC name is 2-chloro-3-[(dimethylhydrazinylidene)methyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-3-[(dimethylhydrazinylidene)methyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID155588007
Molecular FormulaC13H13ClF3N7O
Molecular Weight375.74 g/mol
Exact Mass375.08
IUPAC Name2-chloro-3-[(dimethylhydrazinylidene)methyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCN(C)N=Cc1c(C(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C13H13ClF3N7O/c1-23(2)18-6-8-9(13(15,16)17)5-4-7(10(8)14)11(25)19-12-20-21-22-24(12)3/h4-6H,1-3H3,(H,19,20,22,25)
InChIKeyJARPGLRRGZIDOQ-UHFFFAOYSA-N
XLogP2.03
TPSA88.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 52.03
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-[(dimethylhydrazinylidene)methyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-3-[(dimethylhydrazinylidene)methyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 155588007) is 2-chloro-3-[(dimethylhydrazinylidene)methyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-3-[(dimethylhydrazinylidene)methyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-3-[(dimethylhydrazinylidene)methyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is CN(C)N=Cc1c(C(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1Cl.
What is the InChIKey of 2-chloro-3-[(dimethylhydrazinylidene)methyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is JARPGLRRGZIDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N7O/c1-23(2)18-6-8-9(13(15,16)17)5-4-7(10(8)14)11(25)19-12-20-21-22-24(12)3/h4-6H,1-3H3,(H,19,20,22,25).
What are the key properties of 2-chloro-3-[(dimethylhydrazinylidene)methyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
2-chloro-3-[(dimethylhydrazinylidene)methyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 375.74 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(dimethylhydrazinylidene)methyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 155588007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).