2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

C14H16F3N5O — CID 121419000

IUPAC2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCCCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(C)c1C
InChIInChI=1S/C14H16F3N5O/c1-4-7-22-13(19-20-21-22)18-12(23)10-5-6-11(14(15,16)17)9(3)8(10)2/h5-6H,4,7H2,1-3H3,(H,18,19,21,23)
InChIKeyARTODNLNAIVGOE-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.97
Rot. Bonds4

About 2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 121419000) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID121419000
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCCCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(C)c1C
InChIInChI=1S/C14H16F3N5O/c1-4-7-22-13(19-20-21-22)18-12(23)10-5-6-11(14(15,16)17)9(3)8(10)2/h5-6H,4,7H2,1-3H3,(H,18,19,21,23)
InChIKeyARTODNLNAIVGOE-UHFFFAOYSA-N
XLogP2.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 121419000) is 2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is CCCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(C)c1C.
What is the InChIKey of 2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is ARTODNLNAIVGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-4-7-22-13(19-20-21-22)18-12(23)10-5-6-11(14(15,16)17)9(3)8(10)2/h5-6H,4,7H2,1-3H3,(H,18,19,21,23).
What are the key properties of 2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 327.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 121419000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).