N-phenyl-2-[5-[3-(trifluoromethyl)phenyl]-2H-tetrazol-3-ium-3-yl]acetamide

C16H13F3N5O+ — CID 3552617

IUPACN-phenyl-2-[5-[3-(trifluoromethyl)phenyl]-2H-tetrazol-3-ium-3-yl]acetamide
SMILESO=C(C[n+]1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)Nc1ccccc1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)12-6-4-5-11(9-12)15-21-23-24(22-15)10-14(25)20-13-7-2-1-3-8-13/h1-9H,10H2,(H,20,25)/p+1
InChIKeyDIALSFXVMTZHSI-UHFFFAOYSA-O
MW348.31 g/mol
LogP2.42
Rot. Bonds4

About N-phenyl-2-[5-[3-(trifluoromethyl)phenyl]-2H-tetrazol-3-ium-3-yl]acetamide

N-phenyl-2-[5-[3-(trifluoromethyl)phenyl]-2H-tetrazol-3-ium-3-yl]acetamide (PubChem CID 3552617) has the molecular formula C16H13F3N5O+ and a molecular weight of 348.31 g/mol. Its IUPAC name is N-phenyl-2-[5-[3-(trifluoromethyl)phenyl]-2H-tetrazol-3-ium-3-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[5-[3-(trifluoromethyl)phenyl]-2H-tetrazol-3-ium-3-yl]acetamide
PubChem CID3552617
Molecular FormulaC16H13F3N5O+
Molecular Weight348.31 g/mol
Exact Mass348.11
IUPAC NameN-phenyl-2-[5-[3-(trifluoromethyl)phenyl]-2H-tetrazol-3-ium-3-yl]acetamide
SMILESO=C(C[n+]1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)Nc1ccccc1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)12-6-4-5-11(9-12)15-21-23-24(22-15)10-14(25)20-13-7-2-1-3-8-13/h1-9H,10H2,(H,20,25)/p+1
InChIKeyDIALSFXVMTZHSI-UHFFFAOYSA-O
XLogP2.42
TPSA74.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1251080
CID 89006052
CID 89006052
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide bromide
CID 45053574
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8751008
3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
CID 151250225
2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide
CID 112988067
2-isoquinolin-2-ium-2-yl-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 126958260
2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4110787
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
2-[3-(trifluoromethyl)phenyl]quinazoline-4-carboxylic acid
CID 90410657

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[5-[3-(trifluoromethyl)phenyl]-2H-tetrazol-3-ium-3-yl]acetamide?
The IUPAC name of N-phenyl-2-[5-[3-(trifluoromethyl)phenyl]-2H-tetrazol-3-ium-3-yl]acetamide (CID 3552617) is N-phenyl-2-[5-[3-(trifluoromethyl)phenyl]-2H-tetrazol-3-ium-3-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[5-[3-(trifluoromethyl)phenyl]-2H-tetrazol-3-ium-3-yl]acetamide?
The canonical SMILES for N-phenyl-2-[5-[3-(trifluoromethyl)phenyl]-2H-tetrazol-3-ium-3-yl]acetamide is O=C(C[n+]1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[5-[3-(trifluoromethyl)phenyl]-2H-tetrazol-3-ium-3-yl]acetamide?
The InChIKey is DIALSFXVMTZHSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H12F3N5O/c17-16(18,19)12-6-4-5-11(9-12)15-21-23-24(22-15)10-14(25)20-13-7-2-1-3-8-13/h1-9H,10H2,(H,20,25)/p+1.
What are the key properties of N-phenyl-2-[5-[3-(trifluoromethyl)phenyl]-2H-tetrazol-3-ium-3-yl]acetamide?
N-phenyl-2-[5-[3-(trifluoromethyl)phenyl]-2H-tetrazol-3-ium-3-yl]acetamide has a molecular weight of 348.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[5-[3-(trifluoromethyl)phenyl]-2H-tetrazol-3-ium-3-yl]acetamide is sourced from PubChem (CID 3552617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).