N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide

C10H8F3N5O2 — CID 175924814

IUPACN-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESCn1nnnc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H8F3N5O2/c1-18-9(15-16-17-18)14-8(19)6-2-4-7(5-3-6)20-10(11,12)13/h2-5H,1H3,(H,14,15,17,19)
InChIKeyYSAZVIUIBARKJQ-UHFFFAOYSA-N
MW287.20 g/mol
LogP1.36
Rot. Bonds3

About N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide

N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 175924814) has the molecular formula C10H8F3N5O2 and a molecular weight of 287.20 g/mol. Its IUPAC name is N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
PubChem CID175924814
Molecular FormulaC10H8F3N5O2
Molecular Weight287.20 g/mol
Exact Mass287.06
IUPAC NameN-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESCn1nnnc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H8F3N5O2/c1-18-9(15-16-17-18)14-8(19)6-2-4-7(5-3-6)20-10(11,12)13/h2-5H,1H3,(H,14,15,17,19)
InChIKeyYSAZVIUIBARKJQ-UHFFFAOYSA-N
XLogP1.36
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide (CID 175924814) is N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide is Cn1nnnc1NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is YSAZVIUIBARKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O2/c1-18-9(15-16-17-18)14-8(19)6-2-4-7(5-3-6)20-10(11,12)13/h2-5H,1H3,(H,14,15,17,19).
What are the key properties of N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide?
N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 287.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 175924814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).