30-chloro-N-hydroxytriacontanamide

C30H60ClNO2 — CID 87686920

IUPAC30-chloro-N-hydroxytriacontanamide
SMILESO=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCl)NO
InChIInChI=1S/C30H60ClNO2/c31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30(33)32-34/h34H,1-29H2,(H,32,33)
InChIKeyIHQWNQQAOJEYBV-UHFFFAOYSA-N
MW502.27 g/mol
LogP10.65
Rot. Bonds29

About 30-chloro-N-hydroxytriacontanamide

30-chloro-N-hydroxytriacontanamide (PubChem CID 87686920) has the molecular formula C30H60ClNO2 and a molecular weight of 502.27 g/mol. Its IUPAC name is 30-chloro-N-hydroxytriacontanamide.

Molecular Properties

Compound Name30-chloro-N-hydroxytriacontanamide
PubChem CID87686920
Molecular FormulaC30H60ClNO2
Molecular Weight502.27 g/mol
Exact Mass501.43
IUPAC Name30-chloro-N-hydroxytriacontanamide
SMILESO=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCl)NO
InChIInChI=1S/C30H60ClNO2/c31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30(33)32-34/h34H,1-29H2,(H,32,33)
InChIKeyIHQWNQQAOJEYBV-UHFFFAOYSA-N
XLogP10.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.27
LogP ≤ 510.65
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

14-chloro-N-hydroxytetradecanamide
CID 87682446
33-chloro-N-hydroxytritriacontanamide
CID 87686869
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
20-amino-N-hydroxyicosanamide
CID 87686702
14-amino-N-hydroxytetradecanamide
CID 87686192
N-hydroxy-8-iodooctanamide
CID 87681195
20-bromo-N-hydroxyicosanamide
CID 87683991
N-hydroxy-11-iodoundecanamide
CID 87686066
32-bromo-N-hydroxydotriacontanamide
CID 87685342

Frequently Asked Questions

What is the IUPAC name of 30-chloro-N-hydroxytriacontanamide?
The IUPAC name of 30-chloro-N-hydroxytriacontanamide (CID 87686920) is 30-chloro-N-hydroxytriacontanamide.
What is the SMILES notation for 30-chloro-N-hydroxytriacontanamide?
The canonical SMILES for 30-chloro-N-hydroxytriacontanamide is O=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCl)NO.
What is the InChIKey of 30-chloro-N-hydroxytriacontanamide?
The InChIKey is IHQWNQQAOJEYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60ClNO2/c31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30(33)32-34/h34H,1-29H2,(H,32,33).
What are the key properties of 30-chloro-N-hydroxytriacontanamide?
30-chloro-N-hydroxytriacontanamide has a molecular weight of 502.27 g/mol, XLogP of 10.65, 29 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 30-chloro-N-hydroxytriacontanamide is sourced from PubChem (CID 87686920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).