2-amino-3-(3,4-difluorophenoxy)benzamide

C13H10F2N2O2 — CID 113333318

IUPAC2-amino-3-(3,4-difluorophenoxy)benzamide
SMILESNC(=O)c1cccc(Oc2ccc(F)c(F)c2)c1N
InChIInChI=1S/C13H10F2N2O2/c14-9-5-4-7(6-10(9)15)19-11-3-1-2-8(12(11)16)13(17)18/h1-6H,16H2,(H2,17,18)
InChIKeyXGSNIMOOVFLMDN-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.44
Rot. Bonds3

About 2-amino-3-(3,4-difluorophenoxy)benzamide

2-amino-3-(3,4-difluorophenoxy)benzamide (PubChem CID 113333318) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-amino-3-(3,4-difluorophenoxy)benzamide.

Molecular Properties

Compound Name2-amino-3-(3,4-difluorophenoxy)benzamide
PubChem CID113333318
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name2-amino-3-(3,4-difluorophenoxy)benzamide
SMILESNC(=O)c1cccc(Oc2ccc(F)c(F)c2)c1N
InChIInChI=1S/C13H10F2N2O2/c14-9-5-4-7(6-10(9)15)19-11-3-1-2-8(12(11)16)13(17)18/h1-6H,16H2,(H2,17,18)
InChIKeyXGSNIMOOVFLMDN-UHFFFAOYSA-N
XLogP2.44
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4-cyano-3-fluorophenoxy)benzamide
CID 115547365
2-amino-3-(3,4-dimethylphenoxy)benzamide
CID 115546944
2-amino-3-(3-bromo-5-fluorophenoxy)benzamide
CID 113333380
2-amino-3-(3-cyanophenoxy)benzamide
CID 113333275
2-fluoro-5-(2-fluorophenoxy)benzamide
CID 175987323
2-amino-3-(4-cyanophenoxy)benzamide
CID 115546962
2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide
CID 107100826
methyl 2-amino-3-(4-chloro-3-fluorophenoxy)benzoate
CID 82716287
2-(3,4-difluorophenoxy)-6-fluorobenzenecarbothioamide
CID 79519334
2-amino-3-[3-(methoxymethyl)phenoxy]benzamide
CID 115547294
ethyl 2-(3,4-difluorophenoxy)benzoate
CID 175272248
2-(3,4-difluorophenoxy)-6-fluorobenzoic acid
CID 79510931

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-difluorophenoxy)benzamide?
The IUPAC name of 2-amino-3-(3,4-difluorophenoxy)benzamide (CID 113333318) is 2-amino-3-(3,4-difluorophenoxy)benzamide.
What is the SMILES notation for 2-amino-3-(3,4-difluorophenoxy)benzamide?
The canonical SMILES for 2-amino-3-(3,4-difluorophenoxy)benzamide is NC(=O)c1cccc(Oc2ccc(F)c(F)c2)c1N.
What is the InChIKey of 2-amino-3-(3,4-difluorophenoxy)benzamide?
The InChIKey is XGSNIMOOVFLMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-9-5-4-7(6-10(9)15)19-11-3-1-2-8(12(11)16)13(17)18/h1-6H,16H2,(H2,17,18).
What are the key properties of 2-amino-3-(3,4-difluorophenoxy)benzamide?
2-amino-3-(3,4-difluorophenoxy)benzamide has a molecular weight of 264.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-difluorophenoxy)benzamide is sourced from PubChem (CID 113333318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).