2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C11H10F3N5O — CID 110500529

IUPAC2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCn1nnnc1CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3N5O/c1-19-9(16-17-18-19)6-10(20)15-8-4-2-7(3-5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,20)
InChIKeyPALPKDJFDBTSND-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.41
Rot. Bonds3

About 2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 110500529) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID110500529
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC Name2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCn1nnnc1CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3N5O/c1-19-9(16-17-18-19)6-10(20)15-8-4-2-7(3-5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,20)
InChIKeyPALPKDJFDBTSND-UHFFFAOYSA-N
XLogP1.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500369
N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500481
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500574
2-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43955094
N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500427
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
N-(4-iodophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534873
2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
CID 119253975
2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-phenylacetamide
CID 91945840
N-[3,5-bis(trifluoromethyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3507581
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 110500529) is 2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is Cn1nnnc1CC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PALPKDJFDBTSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c1-19-9(16-17-18-19)6-10(20)15-8-4-2-7(3-5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,20).
What are the key properties of 2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 285.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 110500529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).