N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide

C14H12Br2N2O2 — CID 43549420

IUPACN-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2c(Br)cc(N)cc2Br)c1
InChIInChI=1S/C14H12Br2N2O2/c1-20-10-4-2-3-8(5-10)14(19)18-13-11(15)6-9(17)7-12(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyDEAVIBIQGUXJJH-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.05
Rot. Bonds3

About N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide

N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide (PubChem CID 43549420) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide
PubChem CID43549420
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC NameN-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2c(Br)cc(N)cc2Br)c1
InChIInChI=1S/C14H12Br2N2O2/c1-20-10-4-2-3-8(5-10)14(19)18-13-11(15)6-9(17)7-12(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyDEAVIBIQGUXJJH-UHFFFAOYSA-N
XLogP4.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-3-bromophenyl)-3-methoxybenzamide
CID 82861399
N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide
CID 100828551
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide
CID 100828622
N-(2-amino-4,6-dimethylphenyl)-3-methoxybenzamide
CID 56773263
N-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide
CID 91674531
N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 19172117
N'-(4-aminobenzoyl)-3-methoxybenzohydrazide
CID 684303
N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide
CID 107574824
N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide
CID 107687612
N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
CID 103816421
N-(4-amino-2-bromophenyl)-3,5-dimethoxybenzamide
CID 43549583

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide?
The IUPAC name of N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide (CID 43549420) is N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide.
What is the SMILES notation for N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide?
The canonical SMILES for N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2c(Br)cc(N)cc2Br)c1.
What is the InChIKey of N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide?
The InChIKey is DEAVIBIQGUXJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c1-20-10-4-2-3-8(5-10)14(19)18-13-11(15)6-9(17)7-12(13)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide?
N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide has a molecular weight of 400.07 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide is sourced from PubChem (CID 43549420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).