N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide

C15H15FN2O2 — CID 39373072

IUPACN-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
SMILESNc1ccc(OCCNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H15FN2O2/c16-12-3-1-2-11(10-12)15(19)18-8-9-20-14-6-4-13(17)5-7-14/h1-7,10H,8-9,17H2,(H,18,19)
InChIKeyYWDPVUBSBPJDRX-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.22
Rot. Bonds5

About N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide

N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide (PubChem CID 39373072) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
PubChem CID39373072
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
SMILESNc1ccc(OCCNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H15FN2O2/c16-12-3-1-2-11(10-12)15(19)18-8-9-20-14-6-4-13(17)5-7-14/h1-7,10H,8-9,17H2,(H,18,19)
InChIKeyYWDPVUBSBPJDRX-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
N-[2-(4-aminophenoxy)ethyl]-2-bromo-4-fluorobenzamide
CID 61031991
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide
CID 39371536
N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide
CID 114343182
N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide
CID 61031479
N-[2-(4-aminophenoxy)ethyl]-3,5-dibromobenzamide
CID 107971002
3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108541666
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654478
3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide
CID 42213619

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide (CID 39373072) is N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide is Nc1ccc(OCCNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide?
The InChIKey is YWDPVUBSBPJDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-12-3-1-2-11(10-12)15(19)18-8-9-20-14-6-4-13(17)5-7-14/h1-7,10H,8-9,17H2,(H,18,19).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide?
N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide has a molecular weight of 274.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 39373072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).