4-amino-3-(4-bromo-2-fluorophenoxy)benzamide

C13H10BrFN2O2 — CID 63356585

IUPAC4-amino-3-(4-bromo-2-fluorophenoxy)benzamide
SMILESNC(=O)c1ccc(N)c(Oc2ccc(Br)cc2F)c1
InChIInChI=1S/C13H10BrFN2O2/c14-8-2-4-11(9(15)6-8)19-12-5-7(13(17)18)1-3-10(12)16/h1-6H,16H2,(H2,17,18)
InChIKeyFUWLTOQRYBDBOO-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.06
Rot. Bonds3

About 4-amino-3-(4-bromo-2-fluorophenoxy)benzamide

4-amino-3-(4-bromo-2-fluorophenoxy)benzamide (PubChem CID 63356585) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 4-amino-3-(4-bromo-2-fluorophenoxy)benzamide.

Molecular Properties

Compound Name4-amino-3-(4-bromo-2-fluorophenoxy)benzamide
PubChem CID63356585
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name4-amino-3-(4-bromo-2-fluorophenoxy)benzamide
SMILESNC(=O)c1ccc(N)c(Oc2ccc(Br)cc2F)c1
InChIInChI=1S/C13H10BrFN2O2/c14-8-2-4-11(9(15)6-8)19-12-5-7(13(17)18)1-3-10(12)16/h1-6H,16H2,(H2,17,18)
InChIKeyFUWLTOQRYBDBOO-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'}

Analyze 4-amino-3-(4-bromo-2-fluorophenoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-(3-bromo-4-fluorophenoxy)benzamide
CID 83233647
3-amino-4-(2,4-dibromophenoxy)benzamide
CID 64720185
4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
CID 43232827
4-(2-amino-5-fluorophenoxy)-3-methoxybenzamide
CID 62376981
4-amino-3-(3,5-difluorophenoxy)benzamide
CID 55189641
3-amino-4-(4-bromo-2-chlorophenoxy)benzamide
CID 43448570
4-amino-3-(4-chloro-2-methylphenoxy)benzamide
CID 55188748
4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide
CID 64720406
2-(4-bromo-2-fluorophenoxy)-5-nitroaniline
CID 62508307
4-amino-3-[(4-bromo-2-fluorophenyl)methoxy]benzoic acid
CID 43438829
3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002301
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-bromo-2-fluorophenoxy)benzamide?
The IUPAC name of 4-amino-3-(4-bromo-2-fluorophenoxy)benzamide (CID 63356585) is 4-amino-3-(4-bromo-2-fluorophenoxy)benzamide.
What is the SMILES notation for 4-amino-3-(4-bromo-2-fluorophenoxy)benzamide?
The canonical SMILES for 4-amino-3-(4-bromo-2-fluorophenoxy)benzamide is NC(=O)c1ccc(N)c(Oc2ccc(Br)cc2F)c1.
What is the InChIKey of 4-amino-3-(4-bromo-2-fluorophenoxy)benzamide?
The InChIKey is FUWLTOQRYBDBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c14-8-2-4-11(9(15)6-8)19-12-5-7(13(17)18)1-3-10(12)16/h1-6H,16H2,(H2,17,18).
What are the key properties of 4-amino-3-(4-bromo-2-fluorophenoxy)benzamide?
4-amino-3-(4-bromo-2-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-(4-bromo-2-fluorophenoxy)benzamide is sourced from PubChem (CID 63356585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).