4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide

C23H17F3N6O3 — CID 166195280

IUPAC4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(COc1ccc(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N6O3/c24-23(25,26)16-2-1-3-18(12-16)27-20(33)13-35-19-10-6-15(7-11-19)22(34)28-17-8-4-14(5-9-17)21-29-31-32-30-21/h1-12H,13H2,(H,27,33)(H,28,34)(H,29,30,31,32)
InChIKeyMUSQOXQSLQTHIL-UHFFFAOYSA-N
MW482.42 g/mol
LogP4.16
Rot. Bonds7

About 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide

4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 166195280) has the molecular formula C23H17F3N6O3 and a molecular weight of 482.42 g/mol. Its IUPAC name is 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID166195280
Molecular FormulaC23H17F3N6O3
Molecular Weight482.42 g/mol
Exact Mass482.13
IUPAC Name4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(COc1ccc(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N6O3/c24-23(25,26)16-2-1-3-18(12-16)27-20(33)13-35-19-10-6-15(7-11-19)22(34)28-17-8-4-14(5-9-17)21-29-31-32-30-21/h1-12H,13H2,(H,27,33)(H,28,34)(H,29,30,31,32)
InChIKeyMUSQOXQSLQTHIL-UHFFFAOYSA-N
XLogP4.16
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.42
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639192
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55532368
N-(3-chloro-4-methoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1191704
N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55800391
3-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167940
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16552434
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55564171
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720239
N-cyclohexyl-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 2194102
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55515590

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide (CID 166195280) is 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide is O=C(COc1ccc(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is MUSQOXQSLQTHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O3/c24-23(25,26)16-2-1-3-18(12-16)27-20(33)13-35-19-10-6-15(7-11-19)22(34)28-17-8-4-14(5-9-17)21-29-31-32-30-21/h1-12H,13H2,(H,27,33)(H,28,34)(H,29,30,31,32).
What are the key properties of 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 482.42 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 166195280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).