N-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

C17H13F4N5O — CID 5299255

IUPACN-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NCc1ccc(F)cc1
InChIInChI=1S/C17H13F4N5O/c18-14-6-4-11(5-7-14)9-22-15(27)10-26-24-16(23-25-26)12-2-1-3-13(8-12)17(19,20)21/h1-8H,9-10H2,(H,22,27)
InChIKeyOPGFWSYEBAXZBO-UHFFFAOYSA-N
MW379.32 g/mol
LogP2.81
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 5299255) has the molecular formula C17H13F4N5O and a molecular weight of 379.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID5299255
Molecular FormulaC17H13F4N5O
Molecular Weight379.32 g/mol
Exact Mass379.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NCc1ccc(F)cc1
InChIInChI=1S/C17H13F4N5O/c18-14-6-4-11(5-7-14)9-22-15(27)10-26-24-16(23-25-26)12-2-1-3-13(8-12)17(19,20)21/h1-8H,9-10H2,(H,22,27)
InChIKeyOPGFWSYEBAXZBO-UHFFFAOYSA-N
XLogP2.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
CID 10239095
2-[cyclohexyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347956
2-[cyclohexyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347971
2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347992
2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-1-piperidin-1-yl-ethanone
CID 590954
N-Cyclopentyl-N-cyclopentylcarbamoylmethyl-2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 646964
N-Cyclopentyl-2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-N-[(3-methyl-butylcarbamoyl)-methyl]-acetamide
CID 654864
N-(2-Cyclohex-1-enyl-ethyl)-2-(5-p-tolyl-tetrazol-2-yl)-acetamide
CID 846203
1-(Azepan-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 2550352
N-(1-Benzyl-piperidin-4-yl)-2-(5-p-tolyl-tetrazol-2-yl)-acetamide
CID 3153109
N-Cyclohexyl-N-methyl-2-[5-(3-trifluoromethyl-phenyl)-tetrazol-2-yl]-acetamide
CID 3229088
N-benzyl-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
CID 714078

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (CID 5299255) is N-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is OPGFWSYEBAXZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N5O/c18-14-6-4-11(5-7-14)9-22-15(27)10-26-24-16(23-25-26)12-2-1-3-13(8-12)17(19,20)21/h1-8H,9-10H2,(H,22,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 379.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 5299255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).