2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide

C16H12F3N5O — CID 169450740

IUPAC2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cn1nnc(-c2cc(F)cc(F)c2)n1)c1ccc(F)cc1
InChIInChI=1S/C16H12F3N5O/c1-23(14-4-2-11(17)3-5-14)15(25)9-24-21-16(20-22-24)10-6-12(18)8-13(19)7-10/h2-8H,9H2,1H3
InChIKeyIRUXEBHABFUBKY-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.42
Rot. Bonds4

About 2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide

2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide (PubChem CID 169450740) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide
PubChem CID169450740
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cn1nnc(-c2cc(F)cc(F)c2)n1)c1ccc(F)cc1
InChIInChI=1S/C16H12F3N5O/c1-23(14-4-2-11(17)3-5-14)15(25)9-24-21-16(20-22-24)10-6-12(18)8-13(19)7-10/h2-8H,9H2,1H3
InChIKeyIRUXEBHABFUBKY-UHFFFAOYSA-N
XLogP2.42
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide?
The IUPAC name of 2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide (CID 169450740) is 2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide is CN(C(=O)Cn1nnc(-c2cc(F)cc(F)c2)n1)c1ccc(F)cc1.
What is the InChIKey of 2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide?
The InChIKey is IRUXEBHABFUBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c1-23(14-4-2-11(17)3-5-14)15(25)9-24-21-16(20-22-24)10-6-12(18)8-13(19)7-10/h2-8H,9H2,1H3.
What are the key properties of 2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide?
2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 347.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 169450740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).