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

C17H15F3N6O — CID 146402513

IUPACN-methyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide
SMILESCNC(=O)Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H15F3N6O/c1-21-15(27)10-26-24-16(23-25-26)13-4-2-3-5-14(13)22-12-8-6-11(7-9-12)17(18,19)20/h2-9,22H,10H2,1H3,(H,21,27)
InChIKeyUKCZQTFLPMHBHI-UHFFFAOYSA-N
MW376.34 g/mol
LogP2.85
Rot. Bonds5

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

N-methyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide (PubChem CID 146402513) has the molecular formula C17H15F3N6O and a molecular weight of 376.34 g/mol. Its IUPAC name is N-methyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide
PubChem CID146402513
Molecular FormulaC17H15F3N6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC NameN-methyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide
SMILESCNC(=O)Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H15F3N6O/c1-21-15(27)10-26-24-16(23-25-26)13-4-2-3-5-14(13)22-12-8-6-11(7-9-12)17(18,19)20/h2-9,22H,10H2,1H3,(H,21,27)
InChIKeyUKCZQTFLPMHBHI-UHFFFAOYSA-N
XLogP2.85
TPSA84.73 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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-methyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide (CID 146402513) is N-methyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-methyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-methyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide is CNC(=O)Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-methyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide?
The InChIKey is UKCZQTFLPMHBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O/c1-21-15(27)10-26-24-16(23-25-26)13-4-2-3-5-14(13)22-12-8-6-11(7-9-12)17(18,19)20/h2-9,22H,10H2,1H3,(H,21,27).
What are the key properties of N-methyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide?
N-methyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide has a molecular weight of 376.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 146402513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).