3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide

C15H15BrN2O3 — CID 82858988

IUPAC3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)Nc2ccc(Br)c(OC)c2)c1
InChIInChI=1S/C15H15BrN2O3/c1-20-12-6-9(5-10(17)7-12)15(19)18-11-3-4-13(16)14(8-11)21-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyNCGOBFQMCUEKKD-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.30
Rot. Bonds4

About 3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide

3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide (PubChem CID 82858988) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide
PubChem CID82858988
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)Nc2ccc(Br)c(OC)c2)c1
InChIInChI=1S/C15H15BrN2O3/c1-20-12-6-9(5-10(17)7-12)15(19)18-11-3-4-13(16)14(8-11)21-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyNCGOBFQMCUEKKD-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

4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide
CID 82859976
3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
3-amino-N-(4-cyanophenyl)-5-methoxybenzamide
CID 78985323
3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
CID 81424344
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide
CID 82867341
3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide
CID 82857699
3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide
CID 115375718
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836836
N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 82860502
N-(3-amino-4-methylphenyl)-3,5-dimethoxybenzamide
CID 24709261

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide?
The IUPAC name of 3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide (CID 82858988) is 3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide is COc1cc(N)cc(C(=O)Nc2ccc(Br)c(OC)c2)c1.
What is the InChIKey of 3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide?
The InChIKey is NCGOBFQMCUEKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-20-12-6-9(5-10(17)7-12)15(19)18-11-3-4-13(16)14(8-11)21-2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide?
3-amino-N-(4-bromo-3-methoxyphenyl)-5-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 3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide is sourced from PubChem (CID 82858988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).