N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide

C18H17F3N2O3 — CID 112998798

IUPACN-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCCOc1ccccc1NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3/c1-2-26-15-6-4-3-5-14(15)23-16(24)11-22-17(25)12-7-9-13(10-8-12)18(19,20)21/h3-10H,2,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyUYPNCBBQQVKYRM-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 112998798) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID112998798
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCCOc1ccccc1NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3/c1-2-26-15-6-4-3-5-14(15)23-16(24)11-22-17(25)12-7-9-13(10-8-12)18(19,20)21/h3-10H,2,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyUYPNCBBQQVKYRM-UHFFFAOYSA-N
XLogP3.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 51049781
N-[2-(2-ethoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998801
4-[[2-(2-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54817374
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7709454
3-(2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039806
N-(2-ethoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 7935075
N-(2-ethoxyphenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080271
N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 47898138
N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531882
N-(2-phenylmethoxyphenyl)-4-(trifluoromethyl)benzamide
CID 141040203
N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 112998813
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286510

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 112998798) is N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide is CCOc1ccccc1NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is UYPNCBBQQVKYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-2-26-15-6-4-3-5-14(15)23-16(24)11-22-17(25)12-7-9-13(10-8-12)18(19,20)21/h3-10H,2,11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 366.34 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 112998798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).