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

C10H7F4N5O2 — CID 17102642

IUPAC2,3,5,6-tetrafluoro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide
SMILESCOc1c(F)c(F)c(C(=O)Nc2nnn(C)n2)c(F)c1F
InChIInChI=1S/C10H7F4N5O2/c1-19-17-10(16-18-19)15-9(20)3-4(11)6(13)8(21-2)7(14)5(3)12/h1-2H3,(H,15,17,20)
InChIKeyGQPKNWIOKYXXLC-UHFFFAOYSA-N
MW305.19 g/mol
LogP1.03
Rot. Bonds3

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

2,3,5,6-tetrafluoro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 17102642) has the molecular formula C10H7F4N5O2 and a molecular weight of 305.19 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide
PubChem CID17102642
Molecular FormulaC10H7F4N5O2
Molecular Weight305.19 g/mol
Exact Mass305.05
IUPAC Name2,3,5,6-tetrafluoro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide
SMILESCOc1c(F)c(F)c(C(=O)Nc2nnn(C)n2)c(F)c1F
InChIInChI=1S/C10H7F4N5O2/c1-19-17-10(16-18-19)15-9(20)3-4(11)6(13)8(21-2)7(14)5(3)12/h1-2H3,(H,15,17,20)
InChIKeyGQPKNWIOKYXXLC-UHFFFAOYSA-N
XLogP1.03
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 51.03
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-methyltetrazol-5-yl)benzamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide (CID 17102642) is 2,3,5,6-tetrafluoro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide is COc1c(F)c(F)c(C(=O)Nc2nnn(C)n2)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is GQPKNWIOKYXXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4N5O2/c1-19-17-10(16-18-19)15-9(20)3-4(11)6(13)8(21-2)7(14)5(3)12/h1-2H3,(H,15,17,20).
What are the key properties of 2,3,5,6-tetrafluoro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide?
2,3,5,6-tetrafluoro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 305.19 g/mol, XLogP of 1.03, 3 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-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 17102642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).