2-phenylmethoxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide

C16H12F3N5O2 — CID 13026917

IUPAC2-phenylmethoxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1cc(C(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)11-6-7-13(26-9-10-4-2-1-3-5-10)12(8-11)14(25)20-15-21-23-24-22-15/h1-8H,9H2,(H2,20,21,22,23,24,25)
InChIKeyJHYCVVXJPFTXHW-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.05
Rot. Bonds5

About 2-phenylmethoxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide

2-phenylmethoxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide (PubChem CID 13026917) has the molecular formula C16H12F3N5O2 and a molecular weight of 363.30 g/mol. Its IUPAC name is 2-phenylmethoxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide
PubChem CID13026917
Molecular FormulaC16H12F3N5O2
Molecular Weight363.30 g/mol
Exact Mass363.09
IUPAC Name2-phenylmethoxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1cc(C(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)11-6-7-13(26-9-10-4-2-1-3-5-10)12(8-11)14(25)20-15-21-23-24-22-15/h1-8H,9H2,(H2,20,21,22,23,24,25)
InChIKeyJHYCVVXJPFTXHW-UHFFFAOYSA-N
XLogP3.05
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Bas 07005712
CID 656143
2-ethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896527
4-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenoxy]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide
CID 57745249
3-phenoxy-N-(2H-tetrazol-5-yl)benzamide
CID 2352157
5-trifluoromethyl-2-hydroxy-N-(tetrazol-5-yl)benzamide
CID 13026884
6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide
CID 14256758
7-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide
CID 14256765
4-methoxy-2-(1-methylethoxy)-N-1H-tetrazol-5-ylbenzamide
CID 14276517
4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide
CID 90673470
2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1186273
2-methoxy-N-(1H-tetrazol-5-yl)benzamide
CID 887974
4-(cyclohexylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
CID 96327853

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-phenylmethoxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide (CID 13026917) is 2-phenylmethoxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-phenylmethoxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-phenylmethoxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide is O=C(Nc1nn[nH]n1)c1cc(C(F)(F)F)ccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is JHYCVVXJPFTXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2/c17-16(18,19)11-6-7-13(26-9-10-4-2-1-3-5-10)12(8-11)14(25)20-15-21-23-24-22-15/h1-8H,9H2,(H2,20,21,22,23,24,25).
What are the key properties of 2-phenylmethoxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide?
2-phenylmethoxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 363.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 13026917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).