3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C26H26F3N3O4 — CID 54844474

IUPAC3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCOCCOc1ccccc1NC(=O)CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C26H26F3N3O4/c1-2-35-13-14-36-23-12-4-3-11-22(23)32-24(33)17-30-20-9-5-7-18(15-20)25(34)31-21-10-6-8-19(16-21)26(27,28)29/h3-12,15-16,30H,2,13-14,17H2,1H3,(H,31,34)(H,32,33)
InChIKeyCSBXRJOORVUAPW-UHFFFAOYSA-N
MW501.51 g/mol
LogP5.42
Rot. Bonds11

About 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 54844474) has the molecular formula C26H26F3N3O4 and a molecular weight of 501.51 g/mol. Its IUPAC name is 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID54844474
Molecular FormulaC26H26F3N3O4
Molecular Weight501.51 g/mol
Exact Mass501.19
IUPAC Name3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCOCCOc1ccccc1NC(=O)CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C26H26F3N3O4/c1-2-35-13-14-36-23-12-4-3-11-22(23)32-24(33)17-30-20-9-5-7-18(15-20)25(34)31-21-10-6-8-19(16-21)26(27,28)29/h3-12,15-16,30H,2,13-14,17H2,1H3,(H,31,34)(H,32,33)
InChIKeyCSBXRJOORVUAPW-UHFFFAOYSA-N
XLogP5.42
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.51
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837835
2-(3-acetamidoanilino)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 54831775
3-[[2-(2-methoxyanilino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54817220
3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841601
2-(2-ethoxyethoxy)-N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide
CID 43878308
3-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844347
N-[3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843723
N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 51049781
3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844584
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837010
3-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844272
3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54827700

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 54844474) is 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is CCOCCOc1ccccc1NC(=O)CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is CSBXRJOORVUAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O4/c1-2-35-13-14-36-23-12-4-3-11-22(23)32-24(33)17-30-20-9-5-7-18(15-20)25(34)31-21-10-6-8-19(16-21)26(27,28)29/h3-12,15-16,30H,2,13-14,17H2,1H3,(H,31,34)(H,32,33).
What are the key properties of 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 501.51 g/mol, XLogP of 5.42, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 54844474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).