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

C17H18F3N3O2 — CID 100648128

IUPAC5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide
SMILESCOCCNC(=O)c1cc(N)ccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2/c1-25-8-7-22-16(24)14-10-12(21)5-6-15(14)23-13-4-2-3-11(9-13)17(18,19)20/h2-6,9-10,23H,7-8,21H2,1H3,(H,22,24)
InChIKeyDATVRBIQJNTFPC-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.41
Rot. Bonds6

About 5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide

5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide (PubChem CID 100648128) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide
PubChem CID100648128
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide
SMILESCOCCNC(=O)c1cc(N)ccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2/c1-25-8-7-22-16(24)14-10-12(21)5-6-15(14)23-13-4-2-3-11(9-13)17(18,19)20/h2-6,9-10,23H,7-8,21H2,1H3,(H,22,24)
InChIKeyDATVRBIQJNTFPC-UHFFFAOYSA-N
XLogP3.41
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide
CID 100648066
propyl 5-amino-2-[3-(trifluoromethyl)anilino]benzoate
CID 100647977
5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100648665
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
CID 100638026
5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide
CID 100643393
5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide
CID 100647300
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109323797
5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide
CID 100638798
5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide
CID 100639598

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide?
The IUPAC name of 5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide (CID 100648128) is 5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide.
What is the SMILES notation for 5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide?
The canonical SMILES for 5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide is COCCNC(=O)c1cc(N)ccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide?
The InChIKey is DATVRBIQJNTFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-25-8-7-22-16(24)14-10-12(21)5-6-15(14)23-13-4-2-3-11(9-13)17(18,19)20/h2-6,9-10,23H,7-8,21H2,1H3,(H,22,24).
What are the key properties of 5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide?
5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide has a molecular weight of 353.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide is sourced from PubChem (CID 100648128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).