N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

C16H20F4N6O — CID 23723794

IUPACN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)NCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H20F4N6O/c1-10(2)25(3)8-14-22-23-24-26(14)9-15(27)21-7-11-4-12(16(18,19)20)6-13(17)5-11/h4-6,10H,7-9H2,1-3H3,(H,21,27)
InChIKeyBLRKGGJMBJOIMS-UHFFFAOYSA-N
MW388.37 g/mol
LogP1.99
Rot. Bonds7

About N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (PubChem CID 23723794) has the molecular formula C16H20F4N6O and a molecular weight of 388.37 g/mol. Its IUPAC name is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
PubChem CID23723794
Molecular FormulaC16H20F4N6O
Molecular Weight388.37 g/mol
Exact Mass388.16
IUPAC NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)NCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H20F4N6O/c1-10(2)25(3)8-14-22-23-24-26(14)9-15(27)21-7-11-4-12(16(18,19)20)6-13(17)5-11/h4-6,10H,7-9H2,1-3H3,(H,21,27)
InChIKeyBLRKGGJMBJOIMS-UHFFFAOYSA-N
XLogP1.99
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide with MolForge

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Related Compounds

(R)-2-amino-N-(1-(1-(2-cyanoethyl)-1H-tetrazol-5-yl)-4,4-difluoro-4-phenylbutyl)-2-methylpropanamide
CID 44560945
N-(4-fluorobenzyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methylacetamide
CID 23723423
2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-{2-[3-(trifluoromethyl)phenyl]ethyl}acetamide
CID 23723578
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 24794018
2-(tetrazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 16290307
US11845767, Example 253
CID 155738249
(2S,4R)-4-fluoro-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-[2-[5-(trifluoromethyl)tetrazol-1-yl]acetyl]pyrrolidine-2-carboxamide
CID 165140466
US11845767, Example 315
CID 170795414
US11845767, Example 319
CID 170795418
US11845767, Example 329
CID 170795428
US11845767, Example 330
CID 170795429
US11845767, Example 331
CID 170795430

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (CID 23723794) is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is CC(C)N(C)Cc1nnnn1CC(=O)NCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The InChIKey is BLRKGGJMBJOIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N6O/c1-10(2)25(3)8-14-22-23-24-26(14)9-15(27)21-7-11-4-12(16(18,19)20)6-13(17)5-11/h4-6,10H,7-9H2,1-3H3,(H,21,27).
What are the key properties of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide has a molecular weight of 388.37 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 23723794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).