2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide

C13H9BrF2N2O2 — CID 107100826

IUPAC2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide
SMILESNC(=O)c1cccc(Oc2cc(Br)cc(F)c2F)c1N
InChIInChI=1S/C13H9BrF2N2O2/c14-6-4-8(15)11(16)10(5-6)20-9-3-1-2-7(12(9)17)13(18)19/h1-5H,17H2,(H2,18,19)
InChIKeyVPWKQESOYQJSSB-UHFFFAOYSA-N
MW343.13 g/mol
LogP3.20
Rot. Bonds3

About 2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide

2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide (PubChem CID 107100826) has the molecular formula C13H9BrF2N2O2 and a molecular weight of 343.13 g/mol. Its IUPAC name is 2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide.

Molecular Properties

Compound Name2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide
PubChem CID107100826
Molecular FormulaC13H9BrF2N2O2
Molecular Weight343.13 g/mol
Exact Mass341.98
IUPAC Name2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide
SMILESNC(=O)c1cccc(Oc2cc(Br)cc(F)c2F)c1N
InChIInChI=1S/C13H9BrF2N2O2/c14-6-4-8(15)11(16)10(5-6)20-9-3-1-2-7(12(9)17)13(18)19/h1-5H,17H2,(H2,18,19)
InChIKeyVPWKQESOYQJSSB-UHFFFAOYSA-N
XLogP3.20
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.13
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(3-bromo-5-fluorophenoxy)benzamide
CID 113333380
2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide
CID 107099317
2-amino-3-(3,4-difluorophenoxy)benzamide
CID 113333318
5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide
CID 107097469
2-amino-3-(4-cyano-3-fluorophenoxy)benzamide
CID 115547365
[2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol
CID 107100181
4-(5-bromo-2,3-difluorophenoxy)aniline
CID 107097389
ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate
CID 107099524
2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide
CID 107099186
3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136860116
2-(3-bromo-5-fluorophenoxy)benzamide
CID 81331712
2-amino-3-(3,4-dimethylphenoxy)benzamide
CID 115546944

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide?
The IUPAC name of 2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide (CID 107100826) is 2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide.
What is the SMILES notation for 2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide?
The canonical SMILES for 2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide is NC(=O)c1cccc(Oc2cc(Br)cc(F)c2F)c1N.
What is the InChIKey of 2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide?
The InChIKey is VPWKQESOYQJSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O2/c14-6-4-8(15)11(16)10(5-6)20-9-3-1-2-7(12(9)17)13(18)19/h1-5H,17H2,(H2,18,19).
What are the key properties of 2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide?
2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide has a molecular weight of 343.13 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide is sourced from PubChem (CID 107100826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).