2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide

C21H24ClN3O4 — CID 5146322

IUPAC2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
SMILESCOc1cc(C=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)ccc1O
InChIInChI=1S/C21H24ClN3O4/c1-29-19-13-15(10-11-18(19)26)14-24-25-20(27)9-3-2-6-12-23-21(28)16-7-4-5-8-17(16)22/h4-5,7-8,10-11,13-14,26H,2-3,6,9,12H2,1H3,(H,23,28)(H,25,27)
InChIKeyJQZDEQXGSWVFOT-UHFFFAOYSA-N
MW417.89 g/mol
LogP3.49
Rot. Bonds10

About 2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide

2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide (PubChem CID 5146322) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
PubChem CID5146322
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
SMILESCOc1cc(C=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)ccc1O
InChIInChI=1S/C21H24ClN3O4/c1-29-19-13-15(10-11-18(19)26)14-24-25-20(27)9-3-2-6-12-23-21(28)16-7-4-5-8-17(16)22/h4-5,7-8,10-11,13-14,26H,2-3,6,9,12H2,1H3,(H,23,28)(H,25,27)
InChIKeyJQZDEQXGSWVFOT-UHFFFAOYSA-N
XLogP3.49
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135757722
N-(2-chlorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135683659
2-bromo-N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 2131603
N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5010893
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 135821939
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135684538
[4-[(Z)-[3-[(2-chlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenyl] 3,4-dimethoxybenzoate
CID 6129118
2-chloro-N-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 6007933
N-(2,4-dichlorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 135560328
N-(2,3-dichlorophenyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 3379580

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
The IUPAC name of 2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide (CID 5146322) is 2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
The canonical SMILES for 2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide is COc1cc(C=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)ccc1O.
What is the InChIKey of 2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
The InChIKey is JQZDEQXGSWVFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-29-19-13-15(10-11-18(19)26)14-24-25-20(27)9-3-2-6-12-23-21(28)16-7-4-5-8-17(16)22/h4-5,7-8,10-11,13-14,26H,2-3,6,9,12H2,1H3,(H,23,28)(H,25,27).
What are the key properties of 2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide has a molecular weight of 417.89 g/mol, XLogP of 3.49, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide is sourced from PubChem (CID 5146322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).