2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide

C20H21F3N2O3 — CID 108934485

IUPAC2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide
SMILESCCCc1ccc(OCC(=O)NCc2cccc(NC(=O)C(F)(F)F)c2)cc1
InChIInChI=1S/C20H21F3N2O3/c1-2-4-14-7-9-17(10-8-14)28-13-18(26)24-12-15-5-3-6-16(11-15)25-19(27)20(21,22)23/h3,5-11H,2,4,12-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyHKEMGYVUEBLNPT-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.84
Rot. Bonds8

About 2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide

2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide (PubChem CID 108934485) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide
PubChem CID108934485
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide
SMILESCCCc1ccc(OCC(=O)NCc2cccc(NC(=O)C(F)(F)F)c2)cc1
InChIInChI=1S/C20H21F3N2O3/c1-2-4-14-7-9-17(10-8-14)28-13-18(26)24-12-15-5-3-6-16(11-15)25-19(27)20(21,22)23/h3,5-11H,2,4,12-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyHKEMGYVUEBLNPT-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide with MolForge

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Related Compounds

N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108934568
4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide
CID 108934610
N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108933708
2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide
CID 55697379
N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225288
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2126324
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide
CID 115190239
2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
CID 108934640
3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108934666
2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide
CID 108933812

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide (CID 108934485) is 2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide is CCCc1ccc(OCC(=O)NCc2cccc(NC(=O)C(F)(F)F)c2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide?
The InChIKey is HKEMGYVUEBLNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-2-4-14-7-9-17(10-8-14)28-13-18(26)24-12-15-5-3-6-16(11-15)25-19(27)20(21,22)23/h3,5-11H,2,4,12-13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide?
2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide has a molecular weight of 394.39 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 108934485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).