N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

C24H18F3N3O4 — CID 55800391

IUPACN-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESN#CCOc1cccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C24H18F3N3O4/c25-24(26,27)17-3-1-4-18(13-17)29-22(31)15-34-20-9-7-16(8-10-20)23(32)30-19-5-2-6-21(14-19)33-12-11-28/h1-10,13-14H,12,15H2,(H,29,31)(H,30,32)
InChIKeyFAMWAXKHPCUQIK-UHFFFAOYSA-N
MW469.42 g/mol
LogP4.88
Rot. Bonds8

About N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (PubChem CID 55800391) has the molecular formula C24H18F3N3O4 and a molecular weight of 469.42 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
PubChem CID55800391
Molecular FormulaC24H18F3N3O4
Molecular Weight469.42 g/mol
Exact Mass469.12
IUPAC NameN-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESN#CCOc1cccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C24H18F3N3O4/c25-24(26,27)17-3-1-4-18(13-17)29-22(31)15-34-20-9-7-16(8-10-20)23(32)30-19-5-2-6-21(14-19)33-12-11-28/h1-10,13-14H,12,15H2,(H,29,31)(H,30,32)
InChIKeyFAMWAXKHPCUQIK-UHFFFAOYSA-N
XLogP4.88
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide with MolForge

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Related Compounds

3-[[2-(4-cyanophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16552434
4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639192
N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55532368
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
3-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167940
N-(3-chloro-4-methoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1191704
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 166195280
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
N-(2-ethyl-6-methylphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 112762733
N-(2,5-dimethoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55345310

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (CID 55800391) is N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is N#CCOc1cccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The InChIKey is FAMWAXKHPCUQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O4/c25-24(26,27)17-3-1-4-18(13-17)29-22(31)15-34-20-9-7-16(8-10-20)23(32)30-19-5-2-6-21(14-19)33-12-11-28/h1-10,13-14H,12,15H2,(H,29,31)(H,30,32).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide has a molecular weight of 469.42 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is sourced from PubChem (CID 55800391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).