N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide

C10H13BrN2O2 — CID 104872204

IUPACN-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
SMILESNCCCNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C10H13BrN2O2/c11-7-2-3-9(14)8(6-7)10(15)13-5-1-4-12/h2-3,6,14H,1,4-5,12H2,(H,13,15)
InChIKeyIBKBGFSZOOKBLO-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.23
Rot. Bonds4

About N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide

N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide (PubChem CID 104872204) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
PubChem CID104872204
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC NameN-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
SMILESNCCCNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C10H13BrN2O2/c11-7-2-3-9(14)8(6-7)10(15)13-5-1-4-12/h2-3,6,14H,1,4-5,12H2,(H,13,15)
InChIKeyIBKBGFSZOOKBLO-UHFFFAOYSA-N
XLogP1.23
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide 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-aminopropyl)-2,5-dibromobenzamide
CID 114368344
N-(3-aminopropyl)-5-bromo-2-chlorobenzamide
CID 43378819
5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide
CID 107730547
3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium
CID 7188682
N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide
CID 101205069
N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 104872346
5-bromo-N-[(2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 27163577
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107729441
N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide
CID 107729215
5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 103719384
5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
CID 103097013
N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide
CID 114307431

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide?
The IUPAC name of N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide (CID 104872204) is N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide?
The canonical SMILES for N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide is NCCCNC(=O)c1cc(Br)ccc1O.
What is the InChIKey of N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide?
The InChIKey is IBKBGFSZOOKBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c11-7-2-3-9(14)8(6-7)10(15)13-5-1-4-12/h2-3,6,14H,1,4-5,12H2,(H,13,15).
What are the key properties of N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide?
N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide has a molecular weight of 273.13 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide is sourced from PubChem (CID 104872204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).