5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide

C14H11BrCl2N2O2 — CID 61094355

IUPAC5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H11BrCl2N2O2/c1-21-12-3-2-8(18)6-9(12)14(20)19-13-10(16)4-7(15)5-11(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyOOPDEHDFQMICIK-UHFFFAOYSA-N
MW390.06 g/mol
LogP4.60
Rot. Bonds3

About 5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide

5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide (PubChem CID 61094355) has the molecular formula C14H11BrCl2N2O2 and a molecular weight of 390.06 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide
PubChem CID61094355
Molecular FormulaC14H11BrCl2N2O2
Molecular Weight390.06 g/mol
Exact Mass387.94
IUPAC Name5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H11BrCl2N2O2/c1-21-12-3-2-8(18)6-9(12)14(20)19-13-10(16)4-7(15)5-11(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyOOPDEHDFQMICIK-UHFFFAOYSA-N
XLogP4.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.06
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-(4-bromo-2,6-dichlorophenyl)-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

5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide
CID 107608763
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
5-amino-N-(2-bromo-4-chlorophenyl)-2-methoxybenzamide
CID 81262169
N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide
CID 100828602
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide
CID 62504551
N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide
CID 62504201
N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide
CID 100828548
5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
CID 61090611
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxybenzamide
CID 107869019
N-(4-amino-2-chloro-6-methylphenyl)-2-methoxybenzamide
CID 100817238
5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 28983950

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide?
The IUPAC name of 5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide (CID 61094355) is 5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide is COc1ccc(N)cc1C(=O)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide?
The InChIKey is OOPDEHDFQMICIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O2/c1-21-12-3-2-8(18)6-9(12)14(20)19-13-10(16)4-7(15)5-11(13)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide?
5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide has a molecular weight of 390.06 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide is sourced from PubChem (CID 61094355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).