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

C15H15BrN2O3 — CID 29008332

IUPACN-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1OC
InChIInChI=1S/C15H15BrN2O3/c1-20-13-6-3-9(7-14(13)21-2)15(19)18-12-5-4-10(16)8-11(12)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyGBEGLBPZDIIDAU-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.30
Rot. Bonds4

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

N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide (PubChem CID 29008332) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
PubChem CID29008332
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC NameN-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1OC
InChIInChI=1S/C15H15BrN2O3/c1-20-13-6-3-9(7-14(13)21-2)15(19)18-12-5-4-10(16)8-11(12)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyGBEGLBPZDIIDAU-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-chloro-4-methoxybenzamide
CID 91687665
N-(2-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 28866924
N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide
CID 43549544
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide
CID 62680442
4-amino-N-(4-bromo-2-cyanophenyl)-3-methoxybenzamide
CID 104783168
N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide
CID 21204048
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521
N-[(4-bromo-2-fluorophenyl)carbamothioyl]-3,4-dimethoxybenzamide
CID 1259259
2-amino-N-(5-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 62187195
3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide
CID 61090839

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide (CID 29008332) is N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1OC.
What is the InChIKey of N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide?
The InChIKey is GBEGLBPZDIIDAU-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(16)8-11(12)17/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide?
N-(2-amino-4-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-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 29008332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).