4-amino-3-(3,5-difluorophenoxy)benzamide

C13H10F2N2O2 — CID 55189641

IUPAC4-amino-3-(3,5-difluorophenoxy)benzamide
SMILESNC(=O)c1ccc(N)c(Oc2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H10F2N2O2/c14-8-4-9(15)6-10(5-8)19-12-3-7(13(17)18)1-2-11(12)16/h1-6H,16H2,(H2,17,18)
InChIKeyQTKQWRDIANICNT-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.44
Rot. Bonds3

About 4-amino-3-(3,5-difluorophenoxy)benzamide

4-amino-3-(3,5-difluorophenoxy)benzamide (PubChem CID 55189641) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-amino-3-(3,5-difluorophenoxy)benzamide.

Molecular Properties

Compound Name4-amino-3-(3,5-difluorophenoxy)benzamide
PubChem CID55189641
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name4-amino-3-(3,5-difluorophenoxy)benzamide
SMILESNC(=O)c1ccc(N)c(Oc2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H10F2N2O2/c14-8-4-9(15)6-10(5-8)19-12-3-7(13(17)18)1-2-11(12)16/h1-6H,16H2,(H2,17,18)
InChIKeyQTKQWRDIANICNT-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

4-amino-3-(3-bromo-4-fluorophenoxy)benzamide
CID 83233647
4-amino-3-(4-carbamoylphenoxy)benzoic acid
CID 82796681
4-(2-amino-5-fluorophenoxy)-3-methoxybenzamide
CID 62376981
4-amino-3-(4-bromo-2-fluorophenoxy)benzamide
CID 63356585
4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide
CID 116792417
4-amino-3-trimethylsilyloxybenzamide
CID 167720584
3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide
CID 82990957
4-amino-3-(3-hydroxypropoxy)benzamide
CID 63356843
4-amino-3-propoxybenzamide
CID 63356295
4-amino-3-(4-chloro-2-methylphenoxy)benzamide
CID 55188748
4-amino-3-(2-phenoxyethoxy)benzamide
CID 63356795
4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 66276054

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,5-difluorophenoxy)benzamide?
The IUPAC name of 4-amino-3-(3,5-difluorophenoxy)benzamide (CID 55189641) is 4-amino-3-(3,5-difluorophenoxy)benzamide.
What is the SMILES notation for 4-amino-3-(3,5-difluorophenoxy)benzamide?
The canonical SMILES for 4-amino-3-(3,5-difluorophenoxy)benzamide is NC(=O)c1ccc(N)c(Oc2cc(F)cc(F)c2)c1.
What is the InChIKey of 4-amino-3-(3,5-difluorophenoxy)benzamide?
The InChIKey is QTKQWRDIANICNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-8-4-9(15)6-10(5-8)19-12-3-7(13(17)18)1-2-11(12)16/h1-6H,16H2,(H2,17,18).
What are the key properties of 4-amino-3-(3,5-difluorophenoxy)benzamide?
4-amino-3-(3,5-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 4-amino-3-(3,5-difluorophenoxy)benzamide is sourced from PubChem (CID 55189641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).