2-[2-(4-aminophenoxy)phenoxy]-N-cyclopropyl-2,2-difluoroacetamide

C17H16F2N2O3 — CID 58929182

IUPAC2-[2-(4-aminophenoxy)phenoxy]-N-cyclopropyl-2,2-difluoroacetamide
SMILESNc1ccc(Oc2ccccc2OC(F)(F)C(=O)NC2CC2)cc1
InChIInChI=1S/C17H16F2N2O3/c18-17(19,16(22)21-12-7-8-12)24-15-4-2-1-3-14(15)23-13-9-5-11(20)6-10-13/h1-6,9-10,12H,7-8,20H2,(H,21,22)
InChIKeyYTCVFUHIJWLFAH-UHFFFAOYSA-N
MW334.32 g/mol
LogP3.31
Rot. Bonds6

About 2-[2-(4-aminophenoxy)phenoxy]-N-cyclopropyl-2,2-difluoroacetamide

2-[2-(4-aminophenoxy)phenoxy]-N-cyclopropyl-2,2-difluoroacetamide (PubChem CID 58929182) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 2-[2-(4-aminophenoxy)phenoxy]-N-cyclopropyl-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-[2-(4-aminophenoxy)phenoxy]-N-cyclopropyl-2,2-difluoroacetamide
PubChem CID58929182
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name2-[2-(4-aminophenoxy)phenoxy]-N-cyclopropyl-2,2-difluoroacetamide
SMILESNc1ccc(Oc2ccccc2OC(F)(F)C(=O)NC2CC2)cc1
InChIInChI=1S/C17H16F2N2O3/c18-17(19,16(22)21-12-7-8-12)24-15-4-2-1-3-14(15)23-13-9-5-11(20)6-10-13/h1-6,9-10,12H,7-8,20H2,(H,21,22)
InChIKeyYTCVFUHIJWLFAH-UHFFFAOYSA-N
XLogP3.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenoxy)phenoxy]-N-cyclopropyl-2,2-difluoroacetamide?
The IUPAC name of 2-[2-(4-aminophenoxy)phenoxy]-N-cyclopropyl-2,2-difluoroacetamide (CID 58929182) is 2-[2-(4-aminophenoxy)phenoxy]-N-cyclopropyl-2,2-difluoroacetamide.
What is the SMILES notation for 2-[2-(4-aminophenoxy)phenoxy]-N-cyclopropyl-2,2-difluoroacetamide?
The canonical SMILES for 2-[2-(4-aminophenoxy)phenoxy]-N-cyclopropyl-2,2-difluoroacetamide is Nc1ccc(Oc2ccccc2OC(F)(F)C(=O)NC2CC2)cc1.
What is the InChIKey of 2-[2-(4-aminophenoxy)phenoxy]-N-cyclopropyl-2,2-difluoroacetamide?
The InChIKey is YTCVFUHIJWLFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c18-17(19,16(22)21-12-7-8-12)24-15-4-2-1-3-14(15)23-13-9-5-11(20)6-10-13/h1-6,9-10,12H,7-8,20H2,(H,21,22).
What are the key properties of 2-[2-(4-aminophenoxy)phenoxy]-N-cyclopropyl-2,2-difluoroacetamide?
2-[2-(4-aminophenoxy)phenoxy]-N-cyclopropyl-2,2-difluoroacetamide has a molecular weight of 334.32 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenoxy)phenoxy]-N-cyclopropyl-2,2-difluoroacetamide is sourced from PubChem (CID 58929182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).