5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide

C15H13BrCl2N2O — CID 107185608

IUPAC5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide
SMILESCc1cc(C)c(NC(=O)c2cc(N)cc(Cl)c2Cl)c(Br)c1
InChIInChI=1S/C15H13BrCl2N2O/c1-7-3-8(2)14(11(16)4-7)20-15(21)10-5-9(19)6-12(17)13(10)18/h3-6H,19H2,1-2H3,(H,20,21)
InChIKeyAIBFSWBYJCMKLX-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.21
Rot. Bonds2

About 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide

5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide (PubChem CID 107185608) has the molecular formula C15H13BrCl2N2O and a molecular weight of 388.09 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide
PubChem CID107185608
Molecular FormulaC15H13BrCl2N2O
Molecular Weight388.09 g/mol
Exact Mass385.96
IUPAC Name5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide
SMILESCc1cc(C)c(NC(=O)c2cc(N)cc(Cl)c2Cl)c(Br)c1
InChIInChI=1S/C15H13BrCl2N2O/c1-7-3-8(2)14(11(16)4-7)20-15(21)10-5-9(19)6-12(17)13(10)18/h3-6H,19H2,1-2H3,(H,20,21)
InChIKeyAIBFSWBYJCMKLX-UHFFFAOYSA-N
XLogP5.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.09
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 28983950
N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide
CID 106501147
2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide
CID 103819127
5-amino-N-(4-bromo-3-methylphenyl)-2,3-dichlorobenzamide
CID 107183354
5-amino-N-(2-bromo-5-methylphenyl)-2,3-dichlorobenzamide
CID 107185700
5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide
CID 107185996
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
5-amino-2,3-dichloro-N-(2-chloro-5-methylphenyl)benzamide
CID 107624082
3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide
CID 107121286
N-(4-amino-2,6-dichlorophenyl)-2,4-dimethylbenzamide
CID 16772418
2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 115540020
5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
CID 102704977

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide?
The IUPAC name of 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide (CID 107185608) is 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide.
What is the SMILES notation for 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide?
The canonical SMILES for 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide is Cc1cc(C)c(NC(=O)c2cc(N)cc(Cl)c2Cl)c(Br)c1.
What is the InChIKey of 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide?
The InChIKey is AIBFSWBYJCMKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O/c1-7-3-8(2)14(11(16)4-7)20-15(21)10-5-9(19)6-12(17)13(10)18/h3-6H,19H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide?
5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide has a molecular weight of 388.09 g/mol, XLogP of 5.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide is sourced from PubChem (CID 107185608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).