2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide

C21H22F3N5O3 — CID 55832516

IUPAC2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C21H22F3N5O3/c1-3-29(11-18(30)25-13-5-4-6-15(9-13)32-2)12-19(31)26-14-7-8-16-17(10-14)28-20(27-16)21(22,23)24/h4-10H,3,11-12H2,1-2H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyYEJZCBFZJQMMSZ-UHFFFAOYSA-N
MW449.43 g/mol
LogP3.49
Rot. Bonds8

About 2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide

2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 55832516) has the molecular formula C21H22F3N5O3 and a molecular weight of 449.43 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
PubChem CID55832516
Molecular FormulaC21H22F3N5O3
Molecular Weight449.43 g/mol
Exact Mass449.17
IUPAC Name2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C21H22F3N5O3/c1-3-29(11-18(30)25-13-5-4-6-15(9-13)32-2)12-19(31)26-14-7-8-16-17(10-14)28-20(27-16)21(22,23)24/h4-10H,3,11-12H2,1-2H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyYEJZCBFZJQMMSZ-UHFFFAOYSA-N
XLogP3.49
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide with MolForge

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Related Compounds

2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
CID 55829867
4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
CID 45494073
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9030983
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 39951309
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 2657150
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 9025684
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9025809
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2491478

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide (CID 55832516) is 2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1.
What is the InChIKey of 2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is YEJZCBFZJQMMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O3/c1-3-29(11-18(30)25-13-5-4-6-15(9-13)32-2)12-19(31)26-14-7-8-16-17(10-14)28-20(27-16)21(22,23)24/h4-10H,3,11-12H2,1-2H3,(H,25,30)(H,26,31)(H,27,28).
What are the key properties of 2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide?
2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 449.43 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 55832516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).