2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide

C16H17FN2O2 — CID 61026509

IUPAC2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(N)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-11(12-2-4-13(17)5-3-12)19-16(20)10-21-15-8-6-14(18)7-9-15/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyNAWLITUVXPHPPK-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.66
Rot. Bonds5

About 2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide

2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 61026509) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID61026509
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(N)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-11(12-2-4-13(17)5-3-12)19-16(20)10-21-15-8-6-14(18)7-9-15/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyNAWLITUVXPHPPK-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 51139810
N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
CID 58640419
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876946
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106208034
methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate
CID 94537723
methyl 2-[4-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]acetate
CID 94014472
methyl N-[4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
CID 47059941
N-[1-(4-fluorophenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 43906314

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 61026509) is 2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide is CC(NC(=O)COc1ccc(N)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is NAWLITUVXPHPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11(12-2-4-13(17)5-3-12)19-16(20)10-21-15-8-6-14(18)7-9-15/h2-9,11H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 288.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 61026509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).