33-chloro-N-hydroxytritriacontanamide

C33H66ClNO2 — CID 87686869

IUPAC33-chloro-N-hydroxytritriacontanamide
SMILESO=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCl)NO
InChIInChI=1S/C33H66ClNO2/c34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(36)35-37/h37H,1-32H2,(H,35,36)
InChIKeyCZJJFCQFODIFKQ-UHFFFAOYSA-N
MW544.35 g/mol
LogP11.82
Rot. Bonds32

About 33-chloro-N-hydroxytritriacontanamide

33-chloro-N-hydroxytritriacontanamide (PubChem CID 87686869) has the molecular formula C33H66ClNO2 and a molecular weight of 544.35 g/mol. Its IUPAC name is 33-chloro-N-hydroxytritriacontanamide.

Molecular Properties

Compound Name33-chloro-N-hydroxytritriacontanamide
PubChem CID87686869
Molecular FormulaC33H66ClNO2
Molecular Weight544.35 g/mol
Exact Mass543.48
IUPAC Name33-chloro-N-hydroxytritriacontanamide
SMILESO=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCl)NO
InChIInChI=1S/C33H66ClNO2/c34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(36)35-37/h37H,1-32H2,(H,35,36)
InChIKeyCZJJFCQFODIFKQ-UHFFFAOYSA-N
XLogP11.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.35
LogP ≤ 511.82
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

30-chloro-N-hydroxytriacontanamide
CID 87686920
14-chloro-N-hydroxytetradecanamide
CID 87682446
20-(hydroxyamino)-20-oxoicosanoic acid
CID 87685101
N,16-dihydroxyhexadecanamide
CID 87686064
13-(hydroxyamino)-13-oxotridecanoic acid
CID 21490419
26-(hydroxyamino)-26-oxohexacosanoic acid
CID 87686862
14-amino-N-hydroxytetradecanamide
CID 87686192
N-hydroxy-8-iodooctanamide
CID 87681195
20-bromo-N-hydroxyicosanamide
CID 87683991
20-amino-N-hydroxyicosanamide
CID 87686702
N-hydroxy-31-sulfanylhentriacontanamide
CID 87684217
N-hydroxytridecanamide
CID 14122613

Frequently Asked Questions

What is the IUPAC name of 33-chloro-N-hydroxytritriacontanamide?
The IUPAC name of 33-chloro-N-hydroxytritriacontanamide (CID 87686869) is 33-chloro-N-hydroxytritriacontanamide.
What is the SMILES notation for 33-chloro-N-hydroxytritriacontanamide?
The canonical SMILES for 33-chloro-N-hydroxytritriacontanamide is O=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCl)NO.
What is the InChIKey of 33-chloro-N-hydroxytritriacontanamide?
The InChIKey is CZJJFCQFODIFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H66ClNO2/c34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(36)35-37/h37H,1-32H2,(H,35,36).
What are the key properties of 33-chloro-N-hydroxytritriacontanamide?
33-chloro-N-hydroxytritriacontanamide has a molecular weight of 544.35 g/mol, XLogP of 11.82, 32 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 33-chloro-N-hydroxytritriacontanamide is sourced from PubChem (CID 87686869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).