2-(2-fluorophenyl)-N-[2-methyl-3-(tetrazol-1-yl)phenyl]acetamide

C16H14FN5O — CID 2557452

IUPAC2-(2-fluorophenyl)-N-[2-methyl-3-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1c(NC(=O)Cc2ccccc2F)cccc1-n1cnnn1
InChIInChI=1S/C16H14FN5O/c1-11-14(7-4-8-15(11)22-10-18-20-21-22)19-16(23)9-12-5-2-3-6-13(12)17/h2-8,10H,9H2,1H3,(H,19,23)
InChIKeyMGOBGXZSWGJYAT-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.29
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[2-methyl-3-(tetrazol-1-yl)phenyl]acetamide

2-(2-fluorophenyl)-N-[2-methyl-3-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 2557452) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[2-methyl-3-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[2-methyl-3-(tetrazol-1-yl)phenyl]acetamide
PubChem CID2557452
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name2-(2-fluorophenyl)-N-[2-methyl-3-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1c(NC(=O)Cc2ccccc2F)cccc1-n1cnnn1
InChIInChI=1S/C16H14FN5O/c1-11-14(7-4-8-15(11)22-10-18-20-21-22)19-16(23)9-12-5-2-3-6-13(12)17/h2-8,10H,9H2,1H3,(H,19,23)
InChIKeyMGOBGXZSWGJYAT-UHFFFAOYSA-N
XLogP2.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[2-methyl-3-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[2-methyl-3-(tetrazol-1-yl)phenyl]acetamide (CID 2557452) is 2-(2-fluorophenyl)-N-[2-methyl-3-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[2-methyl-3-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[2-methyl-3-(tetrazol-1-yl)phenyl]acetamide is Cc1c(NC(=O)Cc2ccccc2F)cccc1-n1cnnn1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[2-methyl-3-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is MGOBGXZSWGJYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-11-14(7-4-8-15(11)22-10-18-20-21-22)19-16(23)9-12-5-2-3-6-13(12)17/h2-8,10H,9H2,1H3,(H,19,23).
What are the key properties of 2-(2-fluorophenyl)-N-[2-methyl-3-(tetrazol-1-yl)phenyl]acetamide?
2-(2-fluorophenyl)-N-[2-methyl-3-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 311.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[2-methyl-3-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 2557452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).