N-bromo-N-hydroxyheptatriacontanamide

C37H74BrNO2 — CID 87686971

IUPACN-bromo-N-hydroxyheptatriacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(O)Br
InChIInChI=1S/C37H74BrNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(40)39(38)41/h41H,2-36H2,1H3
InChIKeyHMNKQPAOPORLKA-UHFFFAOYSA-N
MW644.91 g/mol
LogP14.19
Rot. Bonds35

About N-bromo-N-hydroxyheptatriacontanamide

N-bromo-N-hydroxyheptatriacontanamide (PubChem CID 87686971) has the molecular formula C37H74BrNO2 and a molecular weight of 644.91 g/mol. Its IUPAC name is N-bromo-N-hydroxyheptatriacontanamide.

Molecular Properties

Compound NameN-bromo-N-hydroxyheptatriacontanamide
PubChem CID87686971
Molecular FormulaC37H74BrNO2
Molecular Weight644.91 g/mol
Exact Mass643.49
IUPAC NameN-bromo-N-hydroxyheptatriacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(O)Br
InChIInChI=1S/C37H74BrNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(40)39(38)41/h41H,2-36H2,1H3
InChIKeyHMNKQPAOPORLKA-UHFFFAOYSA-N
XLogP14.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.91
LogP ≤ 514.19
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'}

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Related Compounds

N-bromo-N-hydroxytetradecanamide
CID 87684693
N-bromo-N-hydroxynonacosanamide
CID 87682957
N-hexadecyl-N-hydroxyoctadecanamide
CID 150697655
N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
CID 88723391
N-hydroxy-N-methyloctadecanamide
CID 19818891
N-chloro-N-hydroxyhentriacontanamide
CID 87683958
N-amino-N-hydroxydocosanamide
CID 87686885
N,N-di(nonyl)octanamide
CID 533141
N,N-dioctyltetradecanamide
CID 169083302
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-hydroxyheptatriacontanamide?
The IUPAC name of N-bromo-N-hydroxyheptatriacontanamide (CID 87686971) is N-bromo-N-hydroxyheptatriacontanamide.
What is the SMILES notation for N-bromo-N-hydroxyheptatriacontanamide?
The canonical SMILES for N-bromo-N-hydroxyheptatriacontanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(O)Br.
What is the InChIKey of N-bromo-N-hydroxyheptatriacontanamide?
The InChIKey is HMNKQPAOPORLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74BrNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(40)39(38)41/h41H,2-36H2,1H3.
What are the key properties of N-bromo-N-hydroxyheptatriacontanamide?
N-bromo-N-hydroxyheptatriacontanamide has a molecular weight of 644.91 g/mol, XLogP of 14.19, 35 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-hydroxyheptatriacontanamide is sourced from PubChem (CID 87686971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).