2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

C19H18F3NO4 — CID 7762762

IUPAC2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccccc1C=O
InChIInChI=1S/C19H18F3NO4/c1-2-9-26-17-8-7-14(19(20,21)22)10-15(17)23-18(25)12-27-16-6-4-3-5-13(16)11-24/h3-8,10-11H,2,9,12H2,1H3,(H,23,25)
InChIKeyBXSSAXBWSVROQN-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.32
Rot. Bonds8

About 2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 7762762) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID7762762
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccccc1C=O
InChIInChI=1S/C19H18F3NO4/c1-2-9-26-17-8-7-14(19(20,21)22)10-15(17)23-18(25)12-27-16-6-4-3-5-13(16)11-24/h3-8,10-11H,2,9,12H2,1H3,(H,23,25)
InChIKeyBXSSAXBWSVROQN-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

2-(2-acetamidophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7867264
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide
CID 2632480
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
2-(2-propoxyphenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 16549157
2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7865146
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 16549569
2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7960465
3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 55336790
[2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 46789582
[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate
CID 7469228

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (CID 7762762) is 2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccccc1C=O.
What is the InChIKey of 2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BXSSAXBWSVROQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-2-9-26-17-8-7-14(19(20,21)22)10-15(17)23-18(25)12-27-16-6-4-3-5-13(16)11-24/h3-8,10-11H,2,9,12H2,1H3,(H,23,25).
What are the key properties of 2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
2-(2-formylphenoxy)-N-[2-propoxy-5-(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-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7762762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).