N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide

C16H17BrN2O2 — CID 63229866

IUPACN-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(Br)cc1O)c1cccc(N)c1
InChIInChI=1S/C16H17BrN2O2/c1-2-8-19(13-5-3-4-12(18)10-13)16(21)14-7-6-11(17)9-15(14)20/h3-7,9-10,20H,2,8,18H2,1H3
InChIKeyVOTPBGNBJHVKNJ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.79
Rot. Bonds4

About N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide

N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide (PubChem CID 63229866) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide
PubChem CID63229866
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(Br)cc1O)c1cccc(N)c1
InChIInChI=1S/C16H17BrN2O2/c1-2-8-19(13-5-3-4-12(18)10-13)16(21)14-7-6-11(17)9-15(14)20/h3-7,9-10,20H,2,8,18H2,1H3
InChIKeyVOTPBGNBJHVKNJ-UHFFFAOYSA-N
XLogP3.79
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-4-bromo-2-hydroxy-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-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide
CID 107937517
N-(3-aminophenyl)-3-bromo-5-chloro-N-propylbenzamide
CID 107937520
N-(3-aminophenyl)-2,5-dichloro-N-propylbenzamide
CID 63229945
N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80743723
N-(3-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63229820
N-(3-aminophenyl)-5-chloro-2-methyl-N-propylbenzamide
CID 82877888
N-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide
CID 63229640
2-amino-4-bromo-N-butyl-N-phenylbenzamide
CID 79705607
N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 63229607
N-(3-aminophenyl)-4-bromo-3-chloro-N-propylbenzamide
CID 81289017
1-(3-aminophenyl)-3-ethyl-1-propylurea
CID 63230299

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide?
The IUPAC name of N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide (CID 63229866) is N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide is CCCN(C(=O)c1ccc(Br)cc1O)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide?
The InChIKey is VOTPBGNBJHVKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-2-8-19(13-5-3-4-12(18)10-13)16(21)14-7-6-11(17)9-15(14)20/h3-7,9-10,20H,2,8,18H2,1H3.
What are the key properties of N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide?
N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide has a molecular weight of 349.23 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide is sourced from PubChem (CID 63229866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).