N'-(2-chlorophenyl)octadec-9-enehydrazide

C24H39ClN2O — CID 57099411

IUPACN'-(2-chlorophenyl)octadec-9-enehydrazide
SMILESCCCCCCCCC=CCCCCCCCC(=O)NNc1ccccc1Cl
InChIInChI=1S/C24H39ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(28)27-26-23-20-18-17-19-22(23)25/h9-10,17-20,26H,2-8,11-16,21H2,1H3,(H,27,28)
InChIKeyMMFIHOAYRUOGIY-UHFFFAOYSA-N
MW407.04 g/mol
LogP7.82
Rot. Bonds17

About N'-(2-chlorophenyl)octadec-9-enehydrazide

N'-(2-chlorophenyl)octadec-9-enehydrazide (PubChem CID 57099411) has the molecular formula C24H39ClN2O and a molecular weight of 407.04 g/mol. Its IUPAC name is N'-(2-chlorophenyl)octadec-9-enehydrazide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)octadec-9-enehydrazide
PubChem CID57099411
Molecular FormulaC24H39ClN2O
Molecular Weight407.04 g/mol
Exact Mass406.28
IUPAC NameN'-(2-chlorophenyl)octadec-9-enehydrazide
SMILESCCCCCCCCC=CCCCCCCCC(=O)NNc1ccccc1Cl
InChIInChI=1S/C24H39ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(28)27-26-23-20-18-17-19-22(23)25/h9-10,17-20,26H,2-8,11-16,21H2,1H3,(H,27,28)
InChIKeyMMFIHOAYRUOGIY-UHFFFAOYSA-N
XLogP7.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.04
LogP ≤ 57.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)octanamide
CID 2292983
N'-(2-methylphenyl)heptanehydrazide
CID 11955771
N-(2-chlorophenyl)hexanamide
CID 4644560
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
2-(octadec-9-enoylamino)benzoic acid
CID 54292093
(2-chlorophenyl) (Z)-octadec-9-enoate
CID 70379833
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54791904
N-(2-chlorophenyl)-4-(octanoylamino)benzamide
CID 171980600
methyl (Z)-octadec-9-enoate;phenol
CID 67859518
N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide
CID 54249873

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)octadec-9-enehydrazide?
The IUPAC name of N'-(2-chlorophenyl)octadec-9-enehydrazide (CID 57099411) is N'-(2-chlorophenyl)octadec-9-enehydrazide.
What is the SMILES notation for N'-(2-chlorophenyl)octadec-9-enehydrazide?
The canonical SMILES for N'-(2-chlorophenyl)octadec-9-enehydrazide is CCCCCCCCC=CCCCCCCCC(=O)NNc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)octadec-9-enehydrazide?
The InChIKey is MMFIHOAYRUOGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(28)27-26-23-20-18-17-19-22(23)25/h9-10,17-20,26H,2-8,11-16,21H2,1H3,(H,27,28).
What are the key properties of N'-(2-chlorophenyl)octadec-9-enehydrazide?
N'-(2-chlorophenyl)octadec-9-enehydrazide has a molecular weight of 407.04 g/mol, XLogP of 7.82, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)octadec-9-enehydrazide is sourced from PubChem (CID 57099411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).