N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

C17H14F3N5O2 — CID 46686823

IUPACN-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESCn1nnnc1-c1cccc(NC(=O)COc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H14F3N5O2/c1-25-16(22-23-24-25)11-5-4-6-12(9-11)21-15(26)10-27-14-8-3-2-7-13(14)17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChIKeyLOWFMVJIDSMJLY-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.91
Rot. Bonds5

About N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 46686823) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
PubChem CID46686823
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC NameN-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESCn1nnnc1-c1cccc(NC(=O)COc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H14F3N5O2/c1-25-16(22-23-24-25)11-5-4-6-12(9-11)21-15(26)10-27-14-8-3-2-7-13(14)17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChIKeyLOWFMVJIDSMJLY-UHFFFAOYSA-N
XLogP2.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122962
2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 134002158
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide
CID 26124801
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide
CID 39027894
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
CID 30414133
2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide
CID 55544703
2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26124104
N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977030

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (CID 46686823) is N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is Cn1nnnc1-c1cccc(NC(=O)COc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is LOWFMVJIDSMJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-25-16(22-23-24-25)11-5-4-6-12(9-11)21-15(26)10-27-14-8-3-2-7-13(14)17(18,19)20/h2-9H,10H2,1H3,(H,21,26).
What are the key properties of N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 377.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 46686823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).