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

C15H15BrN2O3 — CID 100828622

IUPACN-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Br)cc(N)cc2OC)cc1
InChIInChI=1S/C15H15BrN2O3/c1-20-11-5-3-9(4-6-11)15(19)18-14-12(16)7-10(17)8-13(14)21-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyIFQJUYYZFCFGJN-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.30
Rot. Bonds4

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

N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide (PubChem CID 100828622) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide
PubChem CID100828622
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC NameN-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Br)cc(N)cc2OC)cc1
InChIInChI=1S/C15H15BrN2O3/c1-20-11-5-3-9(4-6-11)15(19)18-14-12(16)7-10(17)8-13(14)21-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyIFQJUYYZFCFGJN-UHFFFAOYSA-N
XLogP3.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.30
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

N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide
CID 100828508
N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide
CID 100828551
N-(4-amino-2,6-dichlorophenyl)-4-methoxybenzamide
CID 16774813
N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide
CID 43549420
N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide
CID 100828602
N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide
CID 43550066
N-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide
CID 100828565
N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide
CID 100828589
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide
CID 100828478

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide?
The IUPAC name of N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide (CID 100828622) is N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide.
What is the SMILES notation for N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide?
The canonical SMILES for N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(Br)cc(N)cc2OC)cc1.
What is the InChIKey of N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide?
The InChIKey is IFQJUYYZFCFGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-20-11-5-3-9(4-6-11)15(19)18-14-12(16)7-10(17)8-13(14)21-2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide?
N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide has a molecular weight of 351.20 g/mol, XLogP of 3.30, 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)-4-methoxybenzamide is sourced from PubChem (CID 100828622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).