3-amino-5-bromo-N-(4-hydroxybutyl)benzamide

C11H15BrN2O2 — CID 106840118

IUPAC3-amino-5-bromo-N-(4-hydroxybutyl)benzamide
SMILESNc1cc(Br)cc(C(=O)NCCCCO)c1
InChIInChI=1S/C11H15BrN2O2/c12-9-5-8(6-10(13)7-9)11(16)14-3-1-2-4-15/h5-7,15H,1-4,13H2,(H,14,16)
InChIKeyMIIWVMGAMUIRPB-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.53
Rot. Bonds5

About 3-amino-5-bromo-N-(4-hydroxybutyl)benzamide

3-amino-5-bromo-N-(4-hydroxybutyl)benzamide (PubChem CID 106840118) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(4-hydroxybutyl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(4-hydroxybutyl)benzamide
PubChem CID106840118
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-amino-5-bromo-N-(4-hydroxybutyl)benzamide
SMILESNc1cc(Br)cc(C(=O)NCCCCO)c1
InChIInChI=1S/C11H15BrN2O2/c12-9-5-8(6-10(13)7-9)11(16)14-3-1-2-4-15/h5-7,15H,1-4,13H2,(H,14,16)
InChIKeyMIIWVMGAMUIRPB-UHFFFAOYSA-N
XLogP1.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-bromo-N-(4-hydroxybutyl)benzamide 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

3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107342962
3-amino-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107316243
3-amino-5-bromo-N-(3-propoxypropyl)benzamide
CID 82949916
3,5-diamino-N-hexadecylbenzamide
CID 54469516
3-bromo-N-(6-hydroxyhexyl)-5-nitrobenzamide
CID 103919327
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide
CID 106233317
3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide
CID 114152440
4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide
CID 114007895
3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 114536108
3,5-diamino-N-propylbenzamide
CID 20701636
1-[[(3-amino-5-bromobenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450660

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(4-hydroxybutyl)benzamide?
The IUPAC name of 3-amino-5-bromo-N-(4-hydroxybutyl)benzamide (CID 106840118) is 3-amino-5-bromo-N-(4-hydroxybutyl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(4-hydroxybutyl)benzamide?
The canonical SMILES for 3-amino-5-bromo-N-(4-hydroxybutyl)benzamide is Nc1cc(Br)cc(C(=O)NCCCCO)c1.
What is the InChIKey of 3-amino-5-bromo-N-(4-hydroxybutyl)benzamide?
The InChIKey is MIIWVMGAMUIRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c12-9-5-8(6-10(13)7-9)11(16)14-3-1-2-4-15/h5-7,15H,1-4,13H2,(H,14,16).
What are the key properties of 3-amino-5-bromo-N-(4-hydroxybutyl)benzamide?
3-amino-5-bromo-N-(4-hydroxybutyl)benzamide has a molecular weight of 287.16 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(4-hydroxybutyl)benzamide is sourced from PubChem (CID 106840118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).