4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide

C14H12Br2N2O3 — CID 79407435

IUPAC4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide
SMILESCOc1cc(Br)c(Oc2cc(N)ccc2C(N)=O)cc1Br
InChIInChI=1S/C14H12Br2N2O3/c1-20-12-5-10(16)13(6-9(12)15)21-11-4-7(17)2-3-8(11)14(18)19/h2-6H,17H2,1H3,(H2,18,19)
InChIKeySIANFXODIKLYKD-UHFFFAOYSA-N
MW416.07 g/mol
LogP3.69
Rot. Bonds4

About 4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide

4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide (PubChem CID 79407435) has the molecular formula C14H12Br2N2O3 and a molecular weight of 416.07 g/mol. Its IUPAC name is 4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide.

Molecular Properties

Compound Name4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide
PubChem CID79407435
Molecular FormulaC14H12Br2N2O3
Molecular Weight416.07 g/mol
Exact Mass413.92
IUPAC Name4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide
SMILESCOc1cc(Br)c(Oc2cc(N)ccc2C(N)=O)cc1Br
InChIInChI=1S/C14H12Br2N2O3/c1-20-12-5-10(16)13(6-9(12)15)21-11-4-7(17)2-3-8(11)14(18)19/h2-6H,17H2,1H3,(H2,18,19)
InChIKeySIANFXODIKLYKD-UHFFFAOYSA-N
XLogP3.69
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.07
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115401530
4-amino-2-(4-bromo-3-methoxyanilino)benzamide
CID 82858027
4-bromo-3-methoxyaniline;iron
CID 158491783
4-bromo-5-methoxy-2-methylbenzamide
CID 168987253
2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide
CID 18143078
4-amino-2-propan-2-yloxybenzamide
CID 53495725
5-bromo-2-(2,5-dibromo-4-methoxyphenoxy)benzoic acid
CID 114896173
1-[2-amino-5-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanone
CID 104613341
4-amino-2-(3-chloro-2-fluorophenoxy)benzamide
CID 116688642
1-(4-amino-2-methoxyphenyl)ethenol
CID 89240422
4-bromo-2-(2,5-dibromo-4-methoxyphenoxy)aniline
CID 79415483
2-(4-amino-2-methoxyphenoxy)pyridine-3-carboxamide
CID 62111132

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide?
The IUPAC name of 4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide (CID 79407435) is 4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide.
What is the SMILES notation for 4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide?
The canonical SMILES for 4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide is COc1cc(Br)c(Oc2cc(N)ccc2C(N)=O)cc1Br.
What is the InChIKey of 4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide?
The InChIKey is SIANFXODIKLYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O3/c1-20-12-5-10(16)13(6-9(12)15)21-11-4-7(17)2-3-8(11)14(18)19/h2-6H,17H2,1H3,(H2,18,19).
What are the key properties of 4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide?
4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide has a molecular weight of 416.07 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide is sourced from PubChem (CID 79407435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).