N-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide

C11H10F3N5O — CID 60912536

IUPACN-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1cccc(C(F)(F)F)c1)c1nn[nH]n1
InChIInChI=1S/C11H10F3N5O/c1-6(9-16-18-19-17-9)15-10(20)7-3-2-4-8(5-7)11(12,13)14/h2-6H,1H3,(H,15,20)(H,16,17,18,19)
InChIKeyABRLJYAGVRTGFH-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.71
Rot. Bonds3

About N-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide

N-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 60912536) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID60912536
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC NameN-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1cccc(C(F)(F)F)c1)c1nn[nH]n1
InChIInChI=1S/C11H10F3N5O/c1-6(9-16-18-19-17-9)15-10(20)7-3-2-4-8(5-7)11(12,13)14/h2-6H,1H3,(H,15,20)(H,16,17,18,19)
InChIKeyABRLJYAGVRTGFH-UHFFFAOYSA-N
XLogP1.71
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide (CID 60912536) is N-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide is CC(NC(=O)c1cccc(C(F)(F)F)c1)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ABRLJYAGVRTGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c1-6(9-16-18-19-17-9)15-10(20)7-3-2-4-8(5-7)11(12,13)14/h2-6H,1H3,(H,15,20)(H,16,17,18,19).
What are the key properties of N-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide?
N-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 285.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 60912536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).