N-chloro-N-hydroxyhentriacontanamide

C31H62ClNO2 — CID 87683958

IUPACN-chloro-N-hydroxyhentriacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(O)Cl
InChIInChI=1S/C31H62ClNO2/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(34)33(32)35/h35H,2-30H2,1H3
InChIKeyHFCOUFNOQUUMBZ-UHFFFAOYSA-N
MW516.30 g/mol
LogP11.69
Rot. Bonds29

About N-chloro-N-hydroxyhentriacontanamide

N-chloro-N-hydroxyhentriacontanamide (PubChem CID 87683958) has the molecular formula C31H62ClNO2 and a molecular weight of 516.30 g/mol. Its IUPAC name is N-chloro-N-hydroxyhentriacontanamide.

Molecular Properties

Compound NameN-chloro-N-hydroxyhentriacontanamide
PubChem CID87683958
Molecular FormulaC31H62ClNO2
Molecular Weight516.30 g/mol
Exact Mass515.45
IUPAC NameN-chloro-N-hydroxyhentriacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(O)Cl
InChIInChI=1S/C31H62ClNO2/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(34)33(32)35/h35H,2-30H2,1H3
InChIKeyHFCOUFNOQUUMBZ-UHFFFAOYSA-N
XLogP11.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.30
LogP ≤ 511.69
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-hydroxy-N-methyloctadecanamide
CID 19818891
N-amino-N-hydroxydocosanamide
CID 87686885
N-bromo-N-hydroxyheptatriacontanamide
CID 87686971
N-hexadecyl-N-hydroxyoctadecanamide
CID 150697655
N-bromo-N-hydroxytetradecanamide
CID 87684693
N-hydroxy-N-iodopentacosanamide
CID 87683036
N-bromo-N-hydroxynonacosanamide
CID 87682957
N-decanoyl-N-methyldecanamide
CID 141076390
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
CID 88723391
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
N,N-dimethyldodecanamide;hydrochloride
CID 173149987

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-hydroxyhentriacontanamide?
The IUPAC name of N-chloro-N-hydroxyhentriacontanamide (CID 87683958) is N-chloro-N-hydroxyhentriacontanamide.
What is the SMILES notation for N-chloro-N-hydroxyhentriacontanamide?
The canonical SMILES for N-chloro-N-hydroxyhentriacontanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(O)Cl.
What is the InChIKey of N-chloro-N-hydroxyhentriacontanamide?
The InChIKey is HFCOUFNOQUUMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62ClNO2/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(34)33(32)35/h35H,2-30H2,1H3.
What are the key properties of N-chloro-N-hydroxyhentriacontanamide?
N-chloro-N-hydroxyhentriacontanamide has a molecular weight of 516.30 g/mol, XLogP of 11.69, 29 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-hydroxyhentriacontanamide is sourced from PubChem (CID 87683958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).