N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide

C15H15BrN2O3 — CID 43549544

IUPACN-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1OC
InChIInChI=1S/C15H15BrN2O3/c1-20-13-6-3-9(7-14(13)21-2)15(19)18-12-5-4-10(17)8-11(12)16/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyWWDVHQYEZJHIAC-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.30
Rot. Bonds4

About N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide

N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide (PubChem CID 43549544) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide
PubChem CID43549544
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC NameN-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1OC
InChIInChI=1S/C15H15BrN2O3/c1-20-13-6-3-9(7-14(13)21-2)15(19)18-12-5-4-10(17)8-11(12)16/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyWWDVHQYEZJHIAC-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-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
CID 29008332
N-(4-amino-2-bromophenyl)-3,5-dimethoxybenzamide
CID 43549583
N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide
CID 100829828
N-(2-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 28866924
3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide
CID 81027184
N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide
CID 63194298
5-amino-N-(2-bromo-4-chlorophenyl)-2-methoxybenzamide
CID 81262169
N-(5-amino-2-methoxyphenyl)-3,5-dibromobenzamide
CID 107970875
N-(5-amino-2-methoxyphenyl)-3-bromobenzamide
CID 24699431
N-(5-amino-2-pyridinyl)-3,4-dimethoxybenzamide
CID 43144619
N-(4-amino-2-chlorophenyl)-3-fluoro-4-methoxybenzamide
CID 62918843
N-(4-amino-2-bromophenyl)-3-hydroxybenzamide
CID 43549560

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide (CID 43549544) is N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1OC.
What is the InChIKey of N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide?
The InChIKey is WWDVHQYEZJHIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-20-13-6-3-9(7-14(13)21-2)15(19)18-12-5-4-10(17)8-11(12)16/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide?
N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide 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-bromophenyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 43549544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).