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

C18H17F3N6O — CID 135372491

IUPACN,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide
SMILESCN(C)C(=O)Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H17F3N6O/c1-26(2)16(28)11-27-24-17(23-25-27)14-5-3-4-6-15(14)22-13-9-7-12(8-10-13)18(19,20)21/h3-10,22H,11H2,1-2H3
InChIKeyFMWFQFXIYBOQPC-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.19
Rot. Bonds5

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

N,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide (PubChem CID 135372491) has the molecular formula C18H17F3N6O and a molecular weight of 390.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide
PubChem CID135372491
Molecular FormulaC18H17F3N6O
Molecular Weight390.37 g/mol
Exact Mass390.14
IUPAC NameN,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide
SMILESCN(C)C(=O)Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H17F3N6O/c1-26(2)16(28)11-27-24-17(23-25-27)14-5-3-4-6-15(14)22-13-9-7-12(8-10-13)18(19,20)21/h3-10,22H,11H2,1-2H3
InChIKeyFMWFQFXIYBOQPC-UHFFFAOYSA-N
XLogP3.19
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-Butyltetrazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455248
N-(2,6-Dimethyl-phenyl)-2-[5-(4-morpholin-4-yl-phenyl)-tetrazol-2-yl]-acetamide
CID 645326
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-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]ethanone
CID 652670
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
CID 863239
N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1136633
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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide (CID 135372491) is N,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide is CN(C)C(=O)Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide?
The InChIKey is FMWFQFXIYBOQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O/c1-26(2)16(28)11-27-24-17(23-25-27)14-5-3-4-6-15(14)22-13-9-7-12(8-10-13)18(19,20)21/h3-10,22H,11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide?
N,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide has a molecular weight of 390.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 135372491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).