2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C16H11ClF3N5O — CID 596749

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11ClF3N5O/c17-12-7-3-1-5-10(12)15-22-24-25(23-15)9-14(26)21-13-8-4-2-6-11(13)16(18,19)20/h1-8H,9H2,(H,21,26)
InChIKeyNXKXPTXRTLOHCS-UHFFFAOYSA-N
MW381.75 g/mol
LogP3.65
Rot. Bonds4

About 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 596749) has the molecular formula C16H11ClF3N5O and a molecular weight of 381.75 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID596749
Molecular FormulaC16H11ClF3N5O
Molecular Weight381.75 g/mol
Exact Mass381.06
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11ClF3N5O/c17-12-7-3-1-5-10(12)15-22-24-25(23-15)9-14(26)21-13-8-4-2-6-11(13)16(18,19)20/h1-8H,9H2,(H,21,26)
InChIKeyNXKXPTXRTLOHCS-UHFFFAOYSA-N
XLogP3.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.75
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 596749) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NXKXPTXRTLOHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N5O/c17-12-7-3-1-5-10(12)15-22-24-25(23-15)9-14(26)21-13-8-4-2-6-11(13)16(18,19)20/h1-8H,9H2,(H,21,26).
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 381.75 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 596749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).