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

C19H18F3N5O — CID 7419862

IUPACN-methyl-N-[(2-methylphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESCc1ccccc1CN(C)C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H18F3N5O/c1-13-6-3-4-7-15(13)11-26(2)17(28)12-27-24-18(23-25-27)14-8-5-9-16(10-14)19(20,21)22/h3-10H,11-12H2,1-2H3
InChIKeyNBWUUYOGZPKSEJ-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.33
Rot. Bonds5

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

N-methyl-N-[(2-methylphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 7419862) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID7419862
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESCc1ccccc1CN(C)C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H18F3N5O/c1-13-6-3-4-7-15(13)11-26(2)17(28)12-27-24-18(23-25-27)14-8-5-9-16(10-14)19(20,21)22/h3-10H,11-12H2,1-2H3
InChIKeyNBWUUYOGZPKSEJ-UHFFFAOYSA-N
XLogP3.33
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (CID 7419862) is N-methyl-N-[(2-methylphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is Cc1ccccc1CN(C)C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is NBWUUYOGZPKSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-13-6-3-4-7-15(13)11-26(2)17(28)12-27-24-18(23-25-27)14-8-5-9-16(10-14)19(20,21)22/h3-10H,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
N-methyl-N-[(2-methylphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 389.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 7419862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).