2-amino-N-(3,5-dibromo-4-hydroxyphenyl)benzamide

C13H10Br2N2O2 — CID 25222988

IUPAC2-amino-N-(3,5-dibromo-4-hydroxyphenyl)benzamide
SMILESNc1ccccc1C(=O)Nc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C13H10Br2N2O2/c14-9-5-7(6-10(15)12(9)18)17-13(19)8-3-1-2-4-11(8)16/h1-6,18H,16H2,(H,17,19)
InChIKeySBAAVNKMFQEKKJ-UHFFFAOYSA-N
MW386.04 g/mol
LogP3.75
Rot. Bonds2

About 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)benzamide

2-amino-N-(3,5-dibromo-4-hydroxyphenyl)benzamide (PubChem CID 25222988) has the molecular formula C13H10Br2N2O2 and a molecular weight of 386.04 g/mol. Its IUPAC name is 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dibromo-4-hydroxyphenyl)benzamide
PubChem CID25222988
Molecular FormulaC13H10Br2N2O2
Molecular Weight386.04 g/mol
Exact Mass383.91
IUPAC Name2-amino-N-(3,5-dibromo-4-hydroxyphenyl)benzamide
SMILESNc1ccccc1C(=O)Nc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C13H10Br2N2O2/c14-9-5-7(6-10(15)12(9)18)17-13(19)8-3-1-2-4-11(8)16/h1-6,18H,16H2,(H,17,19)
InChIKeySBAAVNKMFQEKKJ-UHFFFAOYSA-N
XLogP3.75
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)benzamide?
The IUPAC name of 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)benzamide (CID 25222988) is 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)benzamide?
The canonical SMILES for 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)benzamide is Nc1ccccc1C(=O)Nc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)benzamide?
The InChIKey is SBAAVNKMFQEKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O2/c14-9-5-7(6-10(15)12(9)18)17-13(19)8-3-1-2-4-11(8)16/h1-6,18H,16H2,(H,17,19).
What are the key properties of 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)benzamide?
2-amino-N-(3,5-dibromo-4-hydroxyphenyl)benzamide has a molecular weight of 386.04 g/mol, XLogP of 3.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 25222988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).