4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide

C20H21F3N2O3 — CID 46585175

IUPAC4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1ccccc1CCC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O3/c1-2-28-17-6-4-3-5-14(17)9-12-18(26)25-16-10-7-15(8-11-16)19(27)24-13-20(21,22)23/h3-8,10-11H,2,9,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyITZUHGQKIUJAPS-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.95
Rot. Bonds8

About 4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide

4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 46585175) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID46585175
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1ccccc1CCC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O3/c1-2-28-17-6-4-3-5-14(17)9-12-18(26)25-16-10-7-15(8-11-16)19(27)24-13-20(21,22)23/h3-8,10-11H,2,9,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyITZUHGQKIUJAPS-UHFFFAOYSA-N
XLogP3.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 119290874
N-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide
CID 9261211
N-(3-acetamido-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide
CID 32943090
N-(2-ethoxyphenyl)-4-(3-phenylpropanoylamino)benzamide
CID 1237348
N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide
CID 30295210
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968
4-[[2-(2-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54817374
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380
3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 9474792
4-[[2-(4-phenylphenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46803416
3-(2-ethoxyphenyl)-N-prop-2-enylpropanamide
CID 60659508
3-(2-ethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87008242

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide (CID 46585175) is 4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide is CCOc1ccccc1CCC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is ITZUHGQKIUJAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-2-28-17-6-4-3-5-14(17)9-12-18(26)25-16-10-7-15(8-11-16)19(27)24-13-20(21,22)23/h3-8,10-11H,2,9,12-13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide?
4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 394.39 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 46585175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).