N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide

C16H17BrN2O2 — CID 115368567

IUPACN-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide
SMILESCCN(C(=O)c1ccc(Br)cc1OC)c1ccc(N)cc1
InChIInChI=1S/C16H17BrN2O2/c1-3-19(13-7-5-12(18)6-8-13)16(20)14-9-4-11(17)10-15(14)21-2/h4-10H,3,18H2,1-2H3
InChIKeyVIFRZVKHZGEIIG-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.71
Rot. Bonds4

About N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide

N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide (PubChem CID 115368567) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide
PubChem CID115368567
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide
SMILESCCN(C(=O)c1ccc(Br)cc1OC)c1ccc(N)cc1
InChIInChI=1S/C16H17BrN2O2/c1-3-19(13-7-5-12(18)6-8-13)16(20)14-9-4-11(17)10-15(14)21-2/h4-10H,3,18H2,1-2H3
InChIKeyVIFRZVKHZGEIIG-UHFFFAOYSA-N
XLogP3.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-aminophenyl)-4-bromo-N-ethyl-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

N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide
CID 63230469
N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide
CID 63229751
4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide
CID 78991962
N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide
CID 107937517
4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650
N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide
CID 63230213
N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 55175946
4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 78987573
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 78988590
N-(4-aminophenyl)-N-ethyl-2,6-dimethylpyridine-3-carboxamide
CID 63234084
N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide
CID 63230338
4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
CID 115370131

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide?
The IUPAC name of N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide (CID 115368567) is N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide.
What is the SMILES notation for N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide?
The canonical SMILES for N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide is CCN(C(=O)c1ccc(Br)cc1OC)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide?
The InChIKey is VIFRZVKHZGEIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-3-19(13-7-5-12(18)6-8-13)16(20)14-9-4-11(17)10-15(14)21-2/h4-10H,3,18H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide?
N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide has a molecular weight of 349.23 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide is sourced from PubChem (CID 115368567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).