4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide

C15H15FN2O3 — CID 24697423

IUPAC4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide
SMILESCOc1ccc(OCc2ccc(C(N)=O)cc2F)c(N)c1
InChIInChI=1S/C15H15FN2O3/c1-20-11-4-5-14(13(17)7-11)21-8-10-3-2-9(15(18)19)6-12(10)16/h2-7H,8,17H2,1H3,(H2,18,19)
InChIKeyMIMZXPAIFBUHAB-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.09
Rot. Bonds5

About 4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide

4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide (PubChem CID 24697423) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide
PubChem CID24697423
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide
SMILESCOc1ccc(OCc2ccc(C(N)=O)cc2F)c(N)c1
InChIInChI=1S/C15H15FN2O3/c1-20-11-4-5-14(13(17)7-11)21-8-10-3-2-9(15(18)19)6-12(10)16/h2-7H,8,17H2,1H3,(H2,18,19)
InChIKeyMIMZXPAIFBUHAB-UHFFFAOYSA-N
XLogP2.09
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(2-amino-4-methoxyphenoxy)methyl]benzamide
CID 24689715
4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide
CID 83231247
4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide
CID 102702450
4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide
CID 62111611
3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107666555
3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide
CID 43326327
methyl 3-amino-4-[(4-chloro-2-fluorophenyl)methoxy]benzoate
CID 114850858
4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide
CID 103009131
4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide
CID 65362266
4-amino-3-[(4-methoxyphenyl)methoxy]benzamide
CID 63356500
4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide
CID 107723748
3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide
CID 106484635

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide (CID 24697423) is 4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide is COc1ccc(OCc2ccc(C(N)=O)cc2F)c(N)c1.
What is the InChIKey of 4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide?
The InChIKey is MIMZXPAIFBUHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-20-11-4-5-14(13(17)7-11)21-8-10-3-2-9(15(18)19)6-12(10)16/h2-7H,8,17H2,1H3,(H2,18,19).
What are the key properties of 4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide?
4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide has a molecular weight of 290.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide is sourced from PubChem (CID 24697423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).