N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide

C17H14F3N5O2 — CID 16799188

IUPACN-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(-n2nnnc2CNC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H14F3N5O2/c1-27-14-7-5-13(6-8-14)25-15(22-23-24-25)10-21-16(26)11-3-2-4-12(9-11)17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChIKeyMCJMEKQFHOVGOE-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.62
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide

N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 16799188) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
PubChem CID16799188
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC NameN-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(-n2nnnc2CNC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H14F3N5O2/c1-27-14-7-5-13(6-8-14)25-15(22-23-24-25)10-21-16(26)11-3-2-4-12(9-11)17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChIKeyMCJMEKQFHOVGOE-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'tetrazole_A(1)', 'substructure': 'N/A'}

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Related Compounds

N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
CID 22579909
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
CID 18565556
3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
CID 18565554
1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea
CID 18565917
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483
1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one
CID 166338434
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 44763242
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 18566113
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 4027590

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide (CID 16799188) is N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide is COc1ccc(-n2nnnc2CNC(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is MCJMEKQFHOVGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-27-14-7-5-13(6-8-14)25-15(22-23-24-25)10-21-16(26)11-3-2-4-12(9-11)17(18,19)20/h2-9H,10H2,1H3,(H,21,26).
What are the key properties of N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide?
N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 377.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 16799188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).