N-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

C20H19F3N6O2 — CID 24982892

IUPACN-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C20H19F3N6O2/c1-13-7-3-4-8-14(13)19-25-27-29(26-19)12-18(31)28(2)11-17(30)24-16-10-6-5-9-15(16)20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,30)
InChIKeyPPAJTYAAQXTLHT-UHFFFAOYSA-N
MW432.41 g/mol
LogP2.76
Rot. Bonds6

About N-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

N-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (PubChem CID 24982892) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is N-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
PubChem CID24982892
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC NameN-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C20H19F3N6O2/c1-13-7-3-4-8-14(13)19-25-27-29(26-19)12-18(31)28(2)11-17(30)24-16-10-6-5-9-15(16)20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,30)
InChIKeyPPAJTYAAQXTLHT-UHFFFAOYSA-N
XLogP2.76
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Cyclobutanecarboxylic acid (3-{2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 651981
1-[4-(2-Butyltetrazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455248
Cyclopropanecarboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 647142
N-(2-{2-[2-(2-Methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 650750
N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-2,2,2-trifluoro-acetamide
CID 652435
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
CID 863239
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CID 1143706
1-(4-fluorophenyl)-4-[(5-phenyl-2H-tetrazol-2-yl)acetyl]piperazine
CID 1264121
N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide
CID 1440203
N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 1462999
N-(tert-Butylcarbamoyl-methyl)-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-N-(5,6,7,8-tetrahydro-naphthalen-1-yl)-acetamide
CID 3190063
N-tert-Butyl-2-[{2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-(5,6,7,8-tetrahydro-naphthalen-1-yl)-amino]-butyramide
CID 3190066

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The IUPAC name of N-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (CID 24982892) is N-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.
What is the SMILES notation for N-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The canonical SMILES for N-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is Cc1ccccc1-c1nnn(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The InChIKey is PPAJTYAAQXTLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-13-7-3-4-8-14(13)19-25-27-29(26-19)12-18(31)28(2)11-17(30)24-16-10-6-5-9-15(16)20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,30).
What are the key properties of N-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
N-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide has a molecular weight of 432.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is sourced from PubChem (CID 24982892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).