N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

C23H20F3N3O3 — CID 24531882

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C23H20F3N3O3/c1-2-15-5-3-4-6-19(15)29-20(30)14-28-22(31)16-7-10-18(11-8-16)32-21-12-9-17(13-27-21)23(24,25)26/h3-13H,2,14H2,1H3,(H,28,31)(H,29,30)
InChIKeyMFMLBSXKFJWVEW-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.82
Rot. Bonds7

About N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 24531882) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
PubChem CID24531882
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C23H20F3N3O3/c1-2-15-5-3-4-6-19(15)29-20(30)14-28-22(31)16-7-10-18(11-8-16)32-21-12-9-17(13-27-21)23(24,25)26/h3-13H,2,14H2,1H3,(H,28,31)(H,29,30)
InChIKeyMFMLBSXKFJWVEW-UHFFFAOYSA-N
XLogP4.82
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-6-methoxypyridine-3-carboxamide
CID 24531875
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112998798
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506
N'-[2-(2-ethoxyphenoxy)acetyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzohydrazide
CID 24532076
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 17499127
N-[2-(furan-2-yl)ethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24544168
N-[2-(2-ethylanilino)-2-oxoethyl]naphthalene-2-carboxamide
CID 8699030
4-(carbamoylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26076497

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 24531882) is N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is CCc1ccccc1NC(=O)CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The InChIKey is MFMLBSXKFJWVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-2-15-5-3-4-6-19(15)29-20(30)14-28-22(31)16-7-10-18(11-8-16)32-21-12-9-17(13-27-21)23(24,25)26/h3-13H,2,14H2,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 443.43 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 24531882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).