4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide

C16H17FN2O2 — CID 65362266

IUPAC4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide
SMILESNCCc1ccc(OCc2ccc(C(N)=O)cc2F)cc1
InChIInChI=1S/C16H17FN2O2/c17-15-9-12(16(19)20)3-4-13(15)10-21-14-5-1-11(2-6-14)7-8-18/h1-6,9H,7-8,10,18H2,(H2,19,20)
InChIKeyWIRKHUWEPGSXJV-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.00
Rot. Bonds6

About 4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide

4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide (PubChem CID 65362266) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide
PubChem CID65362266
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide
SMILESNCCc1ccc(OCc2ccc(C(N)=O)cc2F)cc1
InChIInChI=1S/C16H17FN2O2/c17-15-9-12(16(19)20)3-4-13(15)10-21-14-5-1-11(2-6-14)7-8-18/h1-6,9H,7-8,10,18H2,(H2,19,20)
InChIKeyWIRKHUWEPGSXJV-UHFFFAOYSA-N
XLogP2.00
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide
CID 83231247
4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide
CID 62111611
3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide
CID 107708557
3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide
CID 43326327
4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide
CID 107723748
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide
CID 43326289
3-fluoro-4-(2-hydroxyethyl)benzamide
CID 175907153
4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide
CID 24697423
3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide
CID 102668814
4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide
CID 103009131
3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid
CID 63073092

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide?
The IUPAC name of 4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide (CID 65362266) is 4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide is NCCc1ccc(OCc2ccc(C(N)=O)cc2F)cc1.
What is the InChIKey of 4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide?
The InChIKey is WIRKHUWEPGSXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-15-9-12(16(19)20)3-4-13(15)10-21-14-5-1-11(2-6-14)7-8-18/h1-6,9H,7-8,10,18H2,(H2,19,20).
What are the key properties of 4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide?
4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide is sourced from PubChem (CID 65362266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).