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

C10H8F3N5O — CID 154466734

IUPACN-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCn1nnnc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H8F3N5O/c1-18-9(15-16-17-18)14-8(19)6-2-4-7(5-3-6)10(11,12)13/h2-5H,1H3,(H,14,15,17,19)
InChIKeyFGEIDNIPLXAOMQ-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.48
Rot. Bonds2

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

N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 154466734) has the molecular formula C10H8F3N5O and a molecular weight of 271.20 g/mol. Its IUPAC name is N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID154466734
Molecular FormulaC10H8F3N5O
Molecular Weight271.20 g/mol
Exact Mass271.07
IUPAC NameN-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCn1nnnc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H8F3N5O/c1-18-9(15-16-17-18)14-8(19)6-2-4-7(5-3-6)10(11,12)13/h2-5H,1H3,(H,14,15,17,19)
InChIKeyFGEIDNIPLXAOMQ-UHFFFAOYSA-N
XLogP1.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 154466734) is N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is Cn1nnnc1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is FGEIDNIPLXAOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O/c1-18-9(15-16-17-18)14-8(19)6-2-4-7(5-3-6)10(11,12)13/h2-5H,1H3,(H,14,15,17,19).
What are the key properties of N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 271.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 154466734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).