4-amino-3-(3-bromo-4-fluorophenoxy)benzamide

C13H10BrFN2O2 — CID 83233647

IUPAC4-amino-3-(3-bromo-4-fluorophenoxy)benzamide
SMILESNC(=O)c1ccc(N)c(Oc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C13H10BrFN2O2/c14-9-6-8(2-3-10(9)15)19-12-5-7(13(17)18)1-4-11(12)16/h1-6H,16H2,(H2,17,18)
InChIKeyCLVHUTXHNGSUDB-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.06
Rot. Bonds3

About 4-amino-3-(3-bromo-4-fluorophenoxy)benzamide

4-amino-3-(3-bromo-4-fluorophenoxy)benzamide (PubChem CID 83233647) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 4-amino-3-(3-bromo-4-fluorophenoxy)benzamide.

Molecular Properties

Compound Name4-amino-3-(3-bromo-4-fluorophenoxy)benzamide
PubChem CID83233647
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name4-amino-3-(3-bromo-4-fluorophenoxy)benzamide
SMILESNC(=O)c1ccc(N)c(Oc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C13H10BrFN2O2/c14-9-6-8(2-3-10(9)15)19-12-5-7(13(17)18)1-4-11(12)16/h1-6H,16H2,(H2,17,18)
InChIKeyCLVHUTXHNGSUDB-UHFFFAOYSA-N
XLogP3.06
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.06
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-(3,5-difluorophenoxy)benzamide
CID 55189641
4-amino-3-(4-bromo-2-fluorophenoxy)benzamide
CID 63356585
4-amino-3-(3-bromo-4-fluorophenoxy)benzenesulfonamide
CID 83231994
5-amino-2-(3-bromo-4-fluorophenoxy)benzamide
CID 83234649
4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide
CID 83231247
4-amino-3-(4-carbamoylphenoxy)benzoic acid
CID 82796681
2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide
CID 83233548
4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide
CID 63357499
2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid
CID 114195711
4-(2-amino-5-fluorophenoxy)-3-methoxybenzamide
CID 62376981
4-(3-bromo-4-fluorophenoxy)-3-chlorobenzoic acid
CID 83234294
4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide
CID 103483894

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-bromo-4-fluorophenoxy)benzamide?
The IUPAC name of 4-amino-3-(3-bromo-4-fluorophenoxy)benzamide (CID 83233647) is 4-amino-3-(3-bromo-4-fluorophenoxy)benzamide.
What is the SMILES notation for 4-amino-3-(3-bromo-4-fluorophenoxy)benzamide?
The canonical SMILES for 4-amino-3-(3-bromo-4-fluorophenoxy)benzamide is NC(=O)c1ccc(N)c(Oc2ccc(F)c(Br)c2)c1.
What is the InChIKey of 4-amino-3-(3-bromo-4-fluorophenoxy)benzamide?
The InChIKey is CLVHUTXHNGSUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c14-9-6-8(2-3-10(9)15)19-12-5-7(13(17)18)1-4-11(12)16/h1-6H,16H2,(H2,17,18).
What are the key properties of 4-amino-3-(3-bromo-4-fluorophenoxy)benzamide?
4-amino-3-(3-bromo-4-fluorophenoxy)benzamide has a molecular weight of 325.14 g/mol, XLogP of 3.06, 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-bromo-4-fluorophenoxy)benzamide is sourced from PubChem (CID 83233647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).