2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide

C15H12FN3O2 — CID 62317828

IUPAC2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide
SMILESN#Cc1cc(NC(=O)COc2ccc(N)cc2)ccc1F
InChIInChI=1S/C15H12FN3O2/c16-14-6-3-12(7-10(14)8-17)19-15(20)9-21-13-4-1-11(18)2-5-13/h1-7H,9,18H2,(H,19,20)
InChIKeyYMDFAFCNEHVDSY-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.30
Rot. Bonds4

About 2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide

2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide (PubChem CID 62317828) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide
PubChem CID62317828
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide
SMILESN#Cc1cc(NC(=O)COc2ccc(N)cc2)ccc1F
InChIInChI=1S/C15H12FN3O2/c16-14-6-3-12(7-10(14)8-17)19-15(20)9-21-13-4-1-11(18)2-5-13/h1-7H,9,18H2,(H,19,20)
InChIKeyYMDFAFCNEHVDSY-UHFFFAOYSA-N
XLogP2.30
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.30
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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Related Compounds

N-(3-amino-4-fluorophenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
CID 16784468
N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide
CID 62315442
2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide
CID 107571144
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 43554704
N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632328
2-(4-aminophenoxy)-N-(2,4,5-trifluorophenyl)acetamide
CID 62816214
2-(4-chlorophenyl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316311
N-(3,4-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613478
2-(4-acetamidophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7203483
2-(4-aminophenoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 61094742
N-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide
CID 107334024
N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide
CID 43548948

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide (CID 62317828) is 2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide is N#Cc1cc(NC(=O)COc2ccc(N)cc2)ccc1F.
What is the InChIKey of 2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide?
The InChIKey is YMDFAFCNEHVDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-14-6-3-12(7-10(14)8-17)19-15(20)9-21-13-4-1-11(18)2-5-13/h1-7H,9,18H2,(H,19,20).
What are the key properties of 2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide?
2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide has a molecular weight of 285.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide is sourced from PubChem (CID 62317828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).