20-bromo-N-hydroxyicosanamide

C20H40BrNO2 — CID 87683991

IUPAC20-bromo-N-hydroxyicosanamide
SMILESO=C(CCCCCCCCCCCCCCCCCCCBr)NO
InChIInChI=1S/C20H40BrNO2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)22-24/h24H,1-19H2,(H,22,23)
InChIKeyBQMGAKQPWAEJJA-UHFFFAOYSA-N
MW406.45 g/mol
LogP6.91
Rot. Bonds19

About 20-bromo-N-hydroxyicosanamide

20-bromo-N-hydroxyicosanamide (PubChem CID 87683991) has the molecular formula C20H40BrNO2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 20-bromo-N-hydroxyicosanamide.

Molecular Properties

Compound Name20-bromo-N-hydroxyicosanamide
PubChem CID87683991
Molecular FormulaC20H40BrNO2
Molecular Weight406.45 g/mol
Exact Mass405.22
IUPAC Name20-bromo-N-hydroxyicosanamide
SMILESO=C(CCCCCCCCCCCCCCCCCCCBr)NO
InChIInChI=1S/C20H40BrNO2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)22-24/h24H,1-19H2,(H,22,23)
InChIKeyBQMGAKQPWAEJJA-UHFFFAOYSA-N
XLogP6.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

32-bromo-N-hydroxydotriacontanamide
CID 87685342
ethane;N'-hydroxyoctanediamide
CID 144754010
N,16-dihydroxyhexadecanamide
CID 87686064
13-(hydroxyamino)-13-oxotridecanoic acid
CID 21490419
26-(hydroxyamino)-26-oxohexacosanoic acid
CID 87686862
20-(hydroxyamino)-20-oxoicosanoic acid
CID 87685101
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
20-amino-N-hydroxyicosanamide
CID 87686702
14-amino-N-hydroxytetradecanamide
CID 87686192
N-hydroxy-8-iodooctanamide
CID 87681195
5-bromo-N-methylpentanamide
CID 19971018
N-hydroxytridecanamide
CID 14122613

Frequently Asked Questions

What is the IUPAC name of 20-bromo-N-hydroxyicosanamide?
The IUPAC name of 20-bromo-N-hydroxyicosanamide (CID 87683991) is 20-bromo-N-hydroxyicosanamide.
What is the SMILES notation for 20-bromo-N-hydroxyicosanamide?
The canonical SMILES for 20-bromo-N-hydroxyicosanamide is O=C(CCCCCCCCCCCCCCCCCCCBr)NO.
What is the InChIKey of 20-bromo-N-hydroxyicosanamide?
The InChIKey is BQMGAKQPWAEJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40BrNO2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)22-24/h24H,1-19H2,(H,22,23).
What are the key properties of 20-bromo-N-hydroxyicosanamide?
20-bromo-N-hydroxyicosanamide has a molecular weight of 406.45 g/mol, XLogP of 6.91, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-bromo-N-hydroxyicosanamide is sourced from PubChem (CID 87683991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).