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

C11H9ClF3N5O — CID 135252883

IUPAC2-chloro-3-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCc1c(C(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C11H9ClF3N5O/c1-5-7(11(13,14)15)4-3-6(8(5)12)9(21)16-10-17-18-19-20(10)2/h3-4H,1-2H3,(H,16,17,19,21)
InChIKeyPUZZQFPPYALIPY-UHFFFAOYSA-N
MW319.67 g/mol
LogP2.44
Rot. Bonds2

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

2-chloro-3-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 135252883) has the molecular formula C11H9ClF3N5O and a molecular weight of 319.67 g/mol. Its IUPAC name is 2-chloro-3-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-3-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID135252883
Molecular FormulaC11H9ClF3N5O
Molecular Weight319.67 g/mol
Exact Mass319.04
IUPAC Name2-chloro-3-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCc1c(C(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C11H9ClF3N5O/c1-5-7(11(13,14)15)4-3-6(8(5)12)9(21)16-10-17-18-19-20(10)2/h3-4H,1-2H3,(H,16,17,19,21)
InChIKeyPUZZQFPPYALIPY-UHFFFAOYSA-N
XLogP2.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-3-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 135252883) is 2-chloro-3-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-3-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-3-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is Cc1c(C(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1Cl.
What is the InChIKey of 2-chloro-3-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is PUZZQFPPYALIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N5O/c1-5-7(11(13,14)15)4-3-6(8(5)12)9(21)16-10-17-18-19-20(10)2/h3-4H,1-2H3,(H,16,17,19,21).
What are the key properties of 2-chloro-3-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
2-chloro-3-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 319.67 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 135252883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).