2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide

C14H12F2N2O3 — CID 107259866

IUPAC2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide
SMILESCOc1cc(Oc2cccc(F)c2C(N)=O)c(F)cc1N
InChIInChI=1S/C14H12F2N2O3/c1-20-12-6-11(8(16)5-9(12)17)21-10-4-2-3-7(15)13(10)14(18)19/h2-6H,17H2,1H3,(H2,18,19)
InChIKeyPXCRRORTHKUMSA-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.45
Rot. Bonds4

About 2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide

2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide (PubChem CID 107259866) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is 2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide.

Molecular Properties

Compound Name2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide
PubChem CID107259866
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC Name2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide
SMILESCOc1cc(Oc2cccc(F)c2C(N)=O)c(F)cc1N
InChIInChI=1S/C14H12F2N2O3/c1-20-12-6-11(8(16)5-9(12)17)21-10-4-2-3-7(15)13(10)14(18)19/h2-6H,17H2,1H3,(H2,18,19)
InChIKeyPXCRRORTHKUMSA-UHFFFAOYSA-N
XLogP2.45
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.45
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)benzamide
CID 107259815
2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide
CID 43609531
4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
CID 107259770
methyl 2-amino-5-(2,3-difluorophenoxy)-4-fluorobenzoate
CID 63036791
5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline
CID 107259802
2-fluoro-6-[2-(methylaminomethyl)phenoxy]benzamide
CID 106485411
6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid
CID 43609551
(2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 81413829
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
4-(3,5-difluorophenoxy)-5-fluoro-2-methoxyaniline
CID 107259895
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide?
The IUPAC name of 2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide (CID 107259866) is 2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide.
What is the SMILES notation for 2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide?
The canonical SMILES for 2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide is COc1cc(Oc2cccc(F)c2C(N)=O)c(F)cc1N.
What is the InChIKey of 2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide?
The InChIKey is PXCRRORTHKUMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c1-20-12-6-11(8(16)5-9(12)17)21-10-4-2-3-7(15)13(10)14(18)19/h2-6H,17H2,1H3,(H2,18,19).
What are the key properties of 2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide?
2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide has a molecular weight of 294.26 g/mol, XLogP of 2.45, 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)-6-fluorobenzamide is sourced from PubChem (CID 107259866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).