N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide

C15H15BrN2O — CID 107999939

IUPACN-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C15H15BrN2O/c1-9-4-3-5-10(2)14(9)15(19)18-11-6-7-13(17)12(16)8-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyUISCCXJPOZEOLZ-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.90
Rot. Bonds2

About N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide

N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide (PubChem CID 107999939) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide
PubChem CID107999939
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C15H15BrN2O/c1-9-4-3-5-10(2)14(9)15(19)18-11-6-7-13(17)12(16)8-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyUISCCXJPOZEOLZ-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide 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-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide
CID 107999858
N-(4-aminophenyl)-2,6-dimethylbenzamide
CID 114025945
N-(4-amino-3-bromophenyl)-3,5-dimethylbenzamide
CID 82862075
N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide
CID 103828162
2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide
CID 63663448
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
2-amino-N-(4-fluoro-3-methylphenyl)-6-methylbenzamide
CID 55119448
N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide
CID 82881267
N-(4-amino-3-bromophenyl)-3-hydroxybenzamide
CID 82861483
N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81481979
methyl N-(4-amino-3-bromophenyl)carbamate
CID 82861669
N-(4-amino-3-bromophenyl)-3-iodobenzamide
CID 82861642

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide (CID 107999939) is N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)Nc1ccc(N)c(Br)c1.
What is the InChIKey of N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide?
The InChIKey is UISCCXJPOZEOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-9-4-3-5-10(2)14(9)15(19)18-11-6-7-13(17)12(16)8-11/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide?
N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide has a molecular weight of 319.20 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 107999939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).