N-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide

C10H10FN5O — CID 685547

IUPACN-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide
SMILESCc1nnnn1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H10FN5O/c1-7-13-14-15-16(7)6-10(17)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,17)
InChIKeyNRJFMQLHHFZAPN-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.76
Rot. Bonds3

About N-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide

N-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide (PubChem CID 685547) has the molecular formula C10H10FN5O and a molecular weight of 235.22 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide
PubChem CID685547
Molecular FormulaC10H10FN5O
Molecular Weight235.22 g/mol
Exact Mass235.09
IUPAC NameN-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide
SMILESCc1nnnn1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H10FN5O/c1-7-13-14-15-16(7)6-10(17)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,17)
InChIKeyNRJFMQLHHFZAPN-UHFFFAOYSA-N
XLogP0.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide (CID 685547) is N-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide is Cc1nnnn1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide?
The InChIKey is NRJFMQLHHFZAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O/c1-7-13-14-15-16(7)6-10(17)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,17).
What are the key properties of N-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide?
N-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide has a molecular weight of 235.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide is sourced from PubChem (CID 685547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).