3-amino-2-(3-chloro-2-fluorophenoxy)benzamide

C13H10ClFN2O2 — CID 116689745

IUPAC3-amino-2-(3-chloro-2-fluorophenoxy)benzamide
SMILESNC(=O)c1cccc(N)c1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H10ClFN2O2/c14-8-4-2-6-10(11(8)15)19-12-7(13(17)18)3-1-5-9(12)16/h1-6H,16H2,(H2,17,18)
InChIKeyHLXLJFGPMMDQID-UHFFFAOYSA-N
MW280.69 g/mol
LogP2.95
Rot. Bonds3

About 3-amino-2-(3-chloro-2-fluorophenoxy)benzamide

3-amino-2-(3-chloro-2-fluorophenoxy)benzamide (PubChem CID 116689745) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 3-amino-2-(3-chloro-2-fluorophenoxy)benzamide.

Molecular Properties

Compound Name3-amino-2-(3-chloro-2-fluorophenoxy)benzamide
PubChem CID116689745
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name3-amino-2-(3-chloro-2-fluorophenoxy)benzamide
SMILESNC(=O)c1cccc(N)c1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H10ClFN2O2/c14-8-4-2-6-10(11(8)15)19-12-7(13(17)18)3-1-5-9(12)16/h1-6H,16H2,(H2,17,18)
InChIKeyHLXLJFGPMMDQID-UHFFFAOYSA-N
XLogP2.95
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 52.95
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-2-(3-chloro-2-fluorophenoxy)benzamide
CID 116688642
3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide
CID 107659948
3-amino-2-(2-bromo-5-fluorophenoxy)benzamide
CID 112579924
3-amino-2-(4-bromo-2-chlorophenoxy)benzamide
CID 112579736
3-amino-2-naphthalen-1-yloxybenzamide
CID 115935620
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
3-amino-2-(2,4,5-trichlorophenoxy)benzoic acid
CID 115935660
bis(2-amino-6-carbamoylphenyl) 2,3-dihydroxybutanedioate
CID 174596966
methyl 2-amino-5-(3-chloro-2-fluorophenoxy)benzoate
CID 116689734
2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline
CID 116688655
2-fluoro-3-phenoxybenzamide
CID 58104414
methyl 5-amino-2-(3-chloro-2-fluorophenoxy)benzoate
CID 116689744

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-chloro-2-fluorophenoxy)benzamide?
The IUPAC name of 3-amino-2-(3-chloro-2-fluorophenoxy)benzamide (CID 116689745) is 3-amino-2-(3-chloro-2-fluorophenoxy)benzamide.
What is the SMILES notation for 3-amino-2-(3-chloro-2-fluorophenoxy)benzamide?
The canonical SMILES for 3-amino-2-(3-chloro-2-fluorophenoxy)benzamide is NC(=O)c1cccc(N)c1Oc1cccc(Cl)c1F.
What is the InChIKey of 3-amino-2-(3-chloro-2-fluorophenoxy)benzamide?
The InChIKey is HLXLJFGPMMDQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c14-8-4-2-6-10(11(8)15)19-12-7(13(17)18)3-1-5-9(12)16/h1-6H,16H2,(H2,17,18).
What are the key properties of 3-amino-2-(3-chloro-2-fluorophenoxy)benzamide?
3-amino-2-(3-chloro-2-fluorophenoxy)benzamide has a molecular weight of 280.69 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-chloro-2-fluorophenoxy)benzamide is sourced from PubChem (CID 116689745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).