2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide

C17H15F3N6O — CID 87029571

IUPAC2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide
SMILESCc1cccc(NCc2nnnn2-c2ccc(C(F)(F)F)cc2)c1C(N)=O
InChIInChI=1S/C17H15F3N6O/c1-10-3-2-4-13(15(10)16(21)27)22-9-14-23-24-25-26(14)12-7-5-11(6-8-12)17(18,19)20/h2-8,22H,9H2,1H3,(H2,21,27)
InChIKeyUPZLXVATWMUEHZ-UHFFFAOYSA-N
MW376.34 g/mol
LogP2.70
Rot. Bonds5

About 2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide

2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide (PubChem CID 87029571) has the molecular formula C17H15F3N6O and a molecular weight of 376.34 g/mol. Its IUPAC name is 2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide.

Molecular Properties

Compound Name2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide
PubChem CID87029571
Molecular FormulaC17H15F3N6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC Name2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide
SMILESCc1cccc(NCc2nnnn2-c2ccc(C(F)(F)F)cc2)c1C(N)=O
InChIInChI=1S/C17H15F3N6O/c1-10-3-2-4-13(15(10)16(21)27)22-9-14-23-24-25-26(14)12-7-5-11(6-8-12)17(18,19)20/h2-8,22H,9H2,1H3,(H2,21,27)
InChIKeyUPZLXVATWMUEHZ-UHFFFAOYSA-N
XLogP2.70
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-4-(trifluoromethyl)aniline
CID 55989209
7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 167859299
N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 16799188
N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
CID 22579909
2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline
CID 60537482
N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine
CID 47068669
N-methyl-1-[4-(trifluoromethyl)phenyl]-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
CID 55857210
5-[(3,4-dimethylphenyl)sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole
CID 55861827
N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine
CID 87021490
5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline
CID 47068674
[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl 3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate
CID 154860110
methyl 2,4-difluoro-5-[(1-phenyltetrazol-5-yl)methylamino]benzoate
CID 47063754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide?
The IUPAC name of 2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide (CID 87029571) is 2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide.
What is the SMILES notation for 2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide?
The canonical SMILES for 2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide is Cc1cccc(NCc2nnnn2-c2ccc(C(F)(F)F)cc2)c1C(N)=O.
What is the InChIKey of 2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide?
The InChIKey is UPZLXVATWMUEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O/c1-10-3-2-4-13(15(10)16(21)27)22-9-14-23-24-25-26(14)12-7-5-11(6-8-12)17(18,19)20/h2-8,22H,9H2,1H3,(H2,21,27).
What are the key properties of 2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide?
2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide has a molecular weight of 376.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 87029571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).