N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide

C19H20F3N3O3 — CID 54833684

IUPACN-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F3N3O3/c1-28-10-9-23-18(27)13-5-7-15(8-6-13)25-17(26)12-24-16-4-2-3-14(11-16)19(20,21)22/h2-8,11,24H,9-10,12H2,1H3,(H,23,27)(H,25,26)
InChIKeyVMRWRDSQTFSQNH-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.13
Rot. Bonds8

About N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide

N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide (PubChem CID 54833684) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
PubChem CID54833684
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC NameN-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F3N3O3/c1-28-10-9-23-18(27)13-5-7-15(8-6-13)25-17(26)12-24-16-4-2-3-14(11-16)19(20,21)22/h2-8,11,24H,9-10,12H2,1H3,(H,23,27)(H,25,26)
InChIKeyVMRWRDSQTFSQNH-UHFFFAOYSA-N
XLogP3.13
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833624
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838617
4-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54835985
3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836164
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836640
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
methyl 3-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 36586938
N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26500843
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836331
N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844318

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide (CID 54833684) is N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide is COCCNC(=O)c1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
The InChIKey is VMRWRDSQTFSQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-28-10-9-23-18(27)13-5-7-15(8-6-13)25-17(26)12-24-16-4-2-3-14(11-16)19(20,21)22/h2-8,11,24H,9-10,12H2,1H3,(H,23,27)(H,25,26).
What are the key properties of N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide has a molecular weight of 395.38 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54833684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).