N-[3-(tetrazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C16H12F3N5O — CID 8753043

IUPACN-[3-(tetrazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)12-4-1-3-11(7-12)8-15(25)21-13-5-2-6-14(9-13)24-10-20-22-23-24/h1-7,9-10H,8H2,(H,21,25)
InChIKeyIIDSRHVQDUCJLE-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.86
Rot. Bonds4

About N-[3-(tetrazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[3-(tetrazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 8753043) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[3-(tetrazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(tetrazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID8753043
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC NameN-[3-(tetrazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)12-4-1-3-11(7-12)8-15(25)21-13-5-2-6-14(9-13)24-10-20-22-23-24/h1-7,9-10H,8H2,(H,21,25)
InChIKeyIIDSRHVQDUCJLE-UHFFFAOYSA-N
XLogP2.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(tetrazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-(tetrazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 8753043) is N-[3-(tetrazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(tetrazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(tetrazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[3-(tetrazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IIDSRHVQDUCJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-16(18,19)12-4-1-3-11(7-12)8-15(25)21-13-5-2-6-14(9-13)24-10-20-22-23-24/h1-7,9-10H,8H2,(H,21,25).
What are the key properties of N-[3-(tetrazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[3-(tetrazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 347.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tetrazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 8753043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).