N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide

C15H14Br2N2O3 — CID 100828602

IUPACN-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1c(Br)cc(N)cc1OC
InChIInChI=1S/C15H14Br2N2O3/c1-21-12-4-3-8(16)5-10(12)15(20)19-14-11(17)6-9(18)7-13(14)22-2/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyZHCXGOBMQGTRQN-UHFFFAOYSA-N
MW430.10 g/mol
LogP4.06
Rot. Bonds4

About N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide

N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide (PubChem CID 100828602) has the molecular formula C15H14Br2N2O3 and a molecular weight of 430.10 g/mol. Its IUPAC name is N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide
PubChem CID100828602
Molecular FormulaC15H14Br2N2O3
Molecular Weight430.10 g/mol
Exact Mass427.94
IUPAC NameN-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1c(Br)cc(N)cc1OC
InChIInChI=1S/C15H14Br2N2O3/c1-21-12-4-3-8(16)5-10(12)15(20)19-14-11(17)6-9(18)7-13(14)22-2/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyZHCXGOBMQGTRQN-UHFFFAOYSA-N
XLogP4.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.10
LogP ≤ 54.06
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

5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639
N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide
CID 100828589
N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide
CID 100828622
N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide
CID 62504201
5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide
CID 61094355
N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide
CID 100828508
N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7964867
N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide
CID 100828551
N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide
CID 115274447
N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide
CID 100828548
5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide
CID 107608763
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide?
The IUPAC name of N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide (CID 100828602) is N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide.
What is the SMILES notation for N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide?
The canonical SMILES for N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nc1c(Br)cc(N)cc1OC.
What is the InChIKey of N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide?
The InChIKey is ZHCXGOBMQGTRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O3/c1-21-12-4-3-8(16)5-10(12)15(20)19-14-11(17)6-9(18)7-13(14)22-2/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide?
N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide has a molecular weight of 430.10 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide is sourced from PubChem (CID 100828602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).