2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide

C14H13FN2O3 — CID 107259815

IUPAC2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide
SMILESCOc1cc(Oc2ccccc2C(N)=O)c(F)cc1N
InChIInChI=1S/C14H13FN2O3/c1-19-13-7-12(9(15)6-10(13)16)20-11-5-3-2-4-8(11)14(17)18/h2-7H,16H2,1H3,(H2,17,18)
InChIKeyOESIIJDITVGRGC-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.31
Rot. Bonds4

About 2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide

2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide (PubChem CID 107259815) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide.

Molecular Properties

Compound Name2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide
PubChem CID107259815
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide
SMILESCOc1cc(Oc2ccccc2C(N)=O)c(F)cc1N
InChIInChI=1S/C14H13FN2O3/c1-19-13-7-12(9(15)6-10(13)16)20-11-5-3-2-4-8(11)14(17)18/h2-7H,16H2,1H3,(H2,17,18)
InChIKeyOESIIJDITVGRGC-UHFFFAOYSA-N
XLogP2.31
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.31
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

2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide
CID 107259866
2-(2-amino-4-fluoro-5-methylphenoxy)benzamide
CID 103590954
5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline
CID 107259802
4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
CID 107259770
2-(2-amino-5-chlorophenoxy)benzamide
CID 113315871
2-(3-amino-5-methoxyphenoxy)benzamide
CID 80747937
2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743803
5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline
CID 63599659
2-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 69456154
4-amino-5-fluoro-2-methoxybenzamide
CID 124706175
2-(3-amino-5-fluorophenoxy)benzamide
CID 80753129
methyl 2-amino-5-(2,3-difluorophenoxy)-4-fluorobenzoate
CID 63036791

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide?
The IUPAC name of 2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide (CID 107259815) is 2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide.
What is the SMILES notation for 2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide?
The canonical SMILES for 2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide is COc1cc(Oc2ccccc2C(N)=O)c(F)cc1N.
What is the InChIKey of 2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide?
The InChIKey is OESIIJDITVGRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-19-13-7-12(9(15)6-10(13)16)20-11-5-3-2-4-8(11)14(17)18/h2-7H,16H2,1H3,(H2,17,18).
What are the key properties of 2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide?
2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide has a molecular weight of 276.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide is sourced from PubChem (CID 107259815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).