2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide

C12H11F4N5O2 — CID 17102661

IUPAC2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)n1
InChIInChI=1S/C12H11F4N5O2/c1-3-4-21-19-12(18-20-21)17-11(22)5-6(13)8(15)10(23-2)9(16)7(5)14/h3-4H2,1-2H3,(H,17,19,22)
InChIKeyDJVYQIXZEQTYPO-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.90
Rot. Bonds5

About 2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide

2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 17102661) has the molecular formula C12H11F4N5O2 and a molecular weight of 333.25 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID17102661
Molecular FormulaC12H11F4N5O2
Molecular Weight333.25 g/mol
Exact Mass333.08
IUPAC Name2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)n1
InChIInChI=1S/C12H11F4N5O2/c1-3-4-21-19-12(18-20-21)17-11(22)5-6(13)8(15)10(23-2)9(16)7(5)14/h3-4H2,1-2H3,(H,17,19,22)
InChIKeyDJVYQIXZEQTYPO-UHFFFAOYSA-N
XLogP1.90
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide (CID 17102661) is 2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)n1.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is DJVYQIXZEQTYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N5O2/c1-3-4-21-19-12(18-20-21)17-11(22)5-6(13)8(15)10(23-2)9(16)7(5)14/h3-4H2,1-2H3,(H,17,19,22).
What are the key properties of 2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 333.25 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 17102661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).