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

C15H15BrN2O3 — CID 82859159

IUPAC2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
SMILESCOc1cc(Br)cc(NC(=O)c2cc(OC)ccc2N)c1
InChIInChI=1S/C15H15BrN2O3/c1-20-11-3-4-14(17)13(8-11)15(19)18-10-5-9(16)6-12(7-10)21-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyDQDZLGVWOSMYLB-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.30
Rot. Bonds4

About 2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide

2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide (PubChem CID 82859159) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
PubChem CID82859159
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
SMILESCOc1cc(Br)cc(NC(=O)c2cc(OC)ccc2N)c1
InChIInChI=1S/C15H15BrN2O3/c1-20-11-3-4-14(17)13(8-11)15(19)18-10-5-9(16)6-12(7-10)21-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyDQDZLGVWOSMYLB-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-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103876604
2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide
CID 82859029
4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide
CID 82867322
2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide
CID 107679870
N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide
CID 103878372
3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide
CID 82857386
2-amino-N-(3-hydroxy-4-methoxyphenyl)-5-methoxybenzamide
CID 115412684
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 115413708
5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
CID 82858178
2-amino-5-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 79235180
2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide
CID 60954882

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide (CID 82859159) is 2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide is COc1cc(Br)cc(NC(=O)c2cc(OC)ccc2N)c1.
What is the InChIKey of 2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide?
The InChIKey is DQDZLGVWOSMYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-20-11-3-4-14(17)13(8-11)15(19)18-10-5-9(16)6-12(7-10)21-2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide?
2-amino-N-(3-bromo-5-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 2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide is sourced from PubChem (CID 82859159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).