N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

C24H19F3N6O3 — CID 2472286

IUPACN-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESCc1c(NC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cccc1-n1cnnn1
InChIInChI=1S/C24H19F3N6O3/c1-15-19(9-5-10-20(15)33-14-28-31-32-33)30-23(35)18-8-2-3-11-21(18)36-13-22(34)29-17-7-4-6-16(12-17)24(25,26)27/h2-12,14H,13H2,1H3,(H,29,34)(H,30,35)
InChIKeyBDAGKOCEEOYLAR-UHFFFAOYSA-N
MW496.45 g/mol
LogP4.26
Rot. Bonds7

About N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (PubChem CID 2472286) has the molecular formula C24H19F3N6O3 and a molecular weight of 496.45 g/mol. Its IUPAC name is N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.

Molecular Properties

Compound NameN-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
PubChem CID2472286
Molecular FormulaC24H19F3N6O3
Molecular Weight496.45 g/mol
Exact Mass496.15
IUPAC NameN-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESCc1c(NC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cccc1-n1cnnn1
InChIInChI=1S/C24H19F3N6O3/c1-15-19(9-5-10-20(15)33-14-28-31-32-33)30-23(35)18-8-2-3-11-21(18)36-13-22(34)29-17-7-4-6-16(12-17)24(25,26)27/h2-12,14H,13H2,1H3,(H,29,34)(H,30,35)
InChIKeyBDAGKOCEEOYLAR-UHFFFAOYSA-N
XLogP4.26
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1313623
2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112781566
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55564171
2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4260548
5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 42569473
2-ethoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 2579568
2-[2-(dimethylamino)-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27666765
4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 50820638
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
ethyl 1-(2-chlorophenyl)-6-oxo-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]pyridazine-3-carboxylate
CID 18579776
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 31301441
(1,3-dioxoisoindol-2-yl)methyl 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 4856332

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The IUPAC name of N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (CID 2472286) is N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.
What is the SMILES notation for N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The canonical SMILES for N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is Cc1c(NC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cccc1-n1cnnn1.
What is the InChIKey of N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The InChIKey is BDAGKOCEEOYLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O3/c1-15-19(9-5-10-20(15)33-14-28-31-32-33)30-23(35)18-8-2-3-11-21(18)36-13-22(34)29-17-7-4-6-16(12-17)24(25,26)27/h2-12,14H,13H2,1H3,(H,29,34)(H,30,35).
What are the key properties of N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide has a molecular weight of 496.45 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is sourced from PubChem (CID 2472286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).