N-bromo-N-hydroxytetradecanamide

C14H28BrNO2 — CID 87684693

IUPACN-bromo-N-hydroxytetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N(O)Br
InChIInChI=1S/C14H28BrNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(17)16(15)18/h18H,2-13H2,1H3
InChIKeyUILFHBIAOYYWNH-UHFFFAOYSA-N
MW322.29 g/mol
LogP5.22
Rot. Bonds12

About N-bromo-N-hydroxytetradecanamide

N-bromo-N-hydroxytetradecanamide (PubChem CID 87684693) has the molecular formula C14H28BrNO2 and a molecular weight of 322.29 g/mol. Its IUPAC name is N-bromo-N-hydroxytetradecanamide.

Molecular Properties

Compound NameN-bromo-N-hydroxytetradecanamide
PubChem CID87684693
Molecular FormulaC14H28BrNO2
Molecular Weight322.29 g/mol
Exact Mass321.13
IUPAC NameN-bromo-N-hydroxytetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N(O)Br
InChIInChI=1S/C14H28BrNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(17)16(15)18/h18H,2-13H2,1H3
InChIKeyUILFHBIAOYYWNH-UHFFFAOYSA-N
XLogP5.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.29
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-bromo-N-hydroxytetradecanamide 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-bromo-N-hydroxyheptatriacontanamide
CID 87686971
N-bromo-N-hydroxynonacosanamide
CID 87682957
N-hexadecyl-N-hydroxyoctadecanamide
CID 150697655
N-hydroxy-N-methyloctadecanamide
CID 19818891
N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
CID 88723391
N-chloro-N-hydroxyhentriacontanamide
CID 87683958
N-amino-N-hydroxydocosanamide
CID 87686885
N,N-dioctyltetradecanamide
CID 169083302
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N-hydroxy-N-iodopentacosanamide
CID 87683036
N,N-dipropylnonadecanamide
CID 12960009

Frequently Asked Questions

What is the IUPAC name of N-bromo-N-hydroxytetradecanamide?
The IUPAC name of N-bromo-N-hydroxytetradecanamide (CID 87684693) is N-bromo-N-hydroxytetradecanamide.
What is the SMILES notation for N-bromo-N-hydroxytetradecanamide?
The canonical SMILES for N-bromo-N-hydroxytetradecanamide is CCCCCCCCCCCCCC(=O)N(O)Br.
What is the InChIKey of N-bromo-N-hydroxytetradecanamide?
The InChIKey is UILFHBIAOYYWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(17)16(15)18/h18H,2-13H2,1H3.
What are the key properties of N-bromo-N-hydroxytetradecanamide?
N-bromo-N-hydroxytetradecanamide has a molecular weight of 322.29 g/mol, XLogP of 5.22, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-hydroxytetradecanamide is sourced from PubChem (CID 87684693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).