N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide

C17H19BrN2O — CID 81111009

IUPACN-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(C)ccc1Br)c1ccc(N)cc1
InChIInChI=1S/C17H19BrN2O/c1-3-10-20(14-7-5-13(19)6-8-14)17(21)15-11-12(2)4-9-16(15)18/h4-9,11H,3,10,19H2,1-2H3
InChIKeyGDISQJULYLZASF-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.40
Rot. Bonds4

About N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide

N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide (PubChem CID 81111009) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide
PubChem CID81111009
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(C)ccc1Br)c1ccc(N)cc1
InChIInChI=1S/C17H19BrN2O/c1-3-10-20(14-7-5-13(19)6-8-14)17(21)15-11-12(2)4-9-16(15)18/h4-9,11H,3,10,19H2,1-2H3
InChIKeyGDISQJULYLZASF-UHFFFAOYSA-N
XLogP4.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide 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-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide
CID 63234104
N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63233675
2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide
CID 81005126
2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide
CID 81005817
N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 63229607
(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
CID 81117835
N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
CID 63233676
N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide
CID 63234107
N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446026
5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide
CID 122618788
1-(4-aminophenyl)-3-ethyl-1-propylurea
CID 63234160
2-bromo-N,N-bis(2-hydroxyethyl)-5-methylbenzamide
CID 81109663

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide?
The IUPAC name of N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide (CID 81111009) is N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide.
What is the SMILES notation for N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide?
The canonical SMILES for N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide is CCCN(C(=O)c1cc(C)ccc1Br)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide?
The InChIKey is GDISQJULYLZASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-3-10-20(14-7-5-13(19)6-8-14)17(21)15-11-12(2)4-9-16(15)18/h4-9,11H,3,10,19H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide?
N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide has a molecular weight of 347.26 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide is sourced from PubChem (CID 81111009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).