2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide

C19H18F3NO4 — CID 7960465

IUPAC2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C=O)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H18F3NO4/c1-2-8-26-16-7-6-13(11-24)17(10-16)27-12-18(25)23-15-5-3-4-14(9-15)19(20,21)22/h3-7,9-11H,2,8,12H2,1H3,(H,23,25)
InChIKeyOMYVKBPXTLQVLA-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.32
Rot. Bonds8

About 2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 7960465) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID7960465
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C=O)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H18F3NO4/c1-2-8-26-16-7-6-13(11-24)17(10-16)27-12-18(25)23-15-5-3-4-14(9-15)19(20,21)22/h3-7,9-11H,2,8,12H2,1H3,(H,23,25)
InChIKeyOMYVKBPXTLQVLA-UHFFFAOYSA-N
XLogP4.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960384
2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4733098
N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960500
N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960522
N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 43388307
2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7762762
N'-[(4-propoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 5111974
2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096794
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34280640
2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112781566
2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2126324

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 7960465) is 2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide is CCCOc1ccc(C=O)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OMYVKBPXTLQVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-2-8-26-16-7-6-13(11-24)17(10-16)27-12-18(25)23-15-5-3-4-14(9-15)19(20,21)22/h3-7,9-11H,2,8,12H2,1H3,(H,23,25).
What are the key properties of 2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 381.35 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7960465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).