N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide

C16H17BrN2O — CID 103144641

IUPACN-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2C)c(C)cc1N
InChIInChI=1S/C16H17BrN2O/c1-9-6-12(17)4-5-13(9)16(20)19-15-8-10(2)14(18)7-11(15)3/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyORKPDJJUOAKYHF-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.21
Rot. Bonds2

About N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide

N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide (PubChem CID 103144641) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide
PubChem CID103144641
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2C)c(C)cc1N
InChIInChI=1S/C16H17BrN2O/c1-9-6-12(17)4-5-13(9)16(20)19-15-8-10(2)14(18)7-11(15)3/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyORKPDJJUOAKYHF-UHFFFAOYSA-N
XLogP4.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide 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-5-chloro-2-methylphenyl)-4-bromo-2-methylbenzamide
CID 104667361
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(4-amino-2,5-dimethylphenyl)-2-bromo-4-methylbenzamide
CID 103144537
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810
5-amino-N-(4-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102704991
5-amino-N-(5-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102705529
2-amino-4-bromo-N-(4-hydroxy-2-methylphenyl)benzamide
CID 79723167
5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102705048
5-amino-N-(4-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102704921
N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide
CID 103144449
N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide
CID 64882517

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide (CID 103144641) is N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide is Cc1cc(NC(=O)c2ccc(Br)cc2C)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide?
The InChIKey is ORKPDJJUOAKYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-9-6-12(17)4-5-13(9)16(20)19-15-8-10(2)14(18)7-11(15)3/h4-8H,18H2,1-3H3,(H,19,20).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide?
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide has a molecular weight of 333.23 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide is sourced from PubChem (CID 103144641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).