N-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide

C14H12Br2N2O2 — CID 91687679

IUPACN-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1N
InChIInChI=1S/C14H12Br2N2O2/c1-20-13-9(6-8(15)7-10(13)16)14(19)18-12-5-3-2-4-11(12)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyCANZCHQDKPHFMO-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.05
Rot. Bonds3

About N-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide

N-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide (PubChem CID 91687679) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is N-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide
PubChem CID91687679
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC NameN-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1N
InChIInChI=1S/C14H12Br2N2O2/c1-20-13-9(6-8(15)7-10(13)16)14(19)18-12-5-3-2-4-11(12)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyCANZCHQDKPHFMO-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-(2-aminophenyl)-3,5-dibromo-2-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

3,5-dibromo-2-methoxy-N-(2-methoxyphenyl)benzamide
CID 3948715
3,5-dibromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 22777208
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 17111223
3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 3452845
5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
CID 3550371
3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
CID 3324491
2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103410417
N-tert-butyl-3-chloro-7-[(3,5-dibromo-2-methoxybenzoyl)amino]-1-benzothiophene-2-carboxamide
CID 17313655
3,5-dibromo-2-methoxybenzamide
CID 28665425
3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide
CID 17117679
propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate
CID 17050274

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide?
The IUPAC name of N-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide (CID 91687679) is N-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide.
What is the SMILES notation for N-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide?
The canonical SMILES for N-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide is COc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide?
The InChIKey is CANZCHQDKPHFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c1-20-13-9(6-8(15)7-10(13)16)14(19)18-12-5-3-2-4-11(12)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide?
N-(2-aminophenyl)-3,5-dibromo-2-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-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide is sourced from PubChem (CID 91687679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).