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

C16H11F3N6O3 — CID 3420474

IUPACN-(2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H11F3N6O3/c17-16(18,19)11-5-3-4-10(8-11)15-21-23-24(22-15)9-14(26)20-12-6-1-2-7-13(12)25(27)28/h1-8H,9H2,(H,20,26)
InChIKeyFOVNFYTWXWVXDJ-UHFFFAOYSA-N
MW392.30 g/mol
LogP2.91
Rot. Bonds5

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

N-(2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 3420474) has the molecular formula C16H11F3N6O3 and a molecular weight of 392.30 g/mol. Its IUPAC name is N-(2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID3420474
Molecular FormulaC16H11F3N6O3
Molecular Weight392.30 g/mol
Exact Mass392.08
IUPAC NameN-(2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H11F3N6O3/c17-16(18,19)11-5-3-4-10(8-11)15-21-23-24(22-15)9-14(26)20-12-6-1-2-7-13(12)25(27)28/h1-8H,9H2,(H,20,26)
InChIKeyFOVNFYTWXWVXDJ-UHFFFAOYSA-N
XLogP2.91
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2365775
N-(2-chloro-3-pyridinyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 7844984
methyl 3-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]thiophene-2-carboxylate
CID 2745013
N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4796992
N-(2,5-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4798319
2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
CID 8681717
N-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide
CID 17435793
N-pentan-3-yl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4795699
N-(2-methylsulfanylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 25477677
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1373528
2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16508183
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 31184494

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-(2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (CID 3420474) is N-(2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is FOVNFYTWXWVXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6O3/c17-16(18,19)11-5-3-4-10(8-11)15-21-23-24(22-15)9-14(26)20-12-6-1-2-7-13(12)25(27)28/h1-8H,9H2,(H,20,26).
What are the key properties of N-(2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
N-(2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 392.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 3420474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).