5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide

C16H22ClN3O2 — CID 869893

IUPAC5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide
SMILESCC1(C)CC(=NNC(=O)c2cc(Cl)ccc2O)CC(C)(C)N1
InChIInChI=1S/C16H22ClN3O2/c1-15(2)8-11(9-16(3,4)20-15)18-19-14(22)12-7-10(17)5-6-13(12)21/h5-7,20-21H,8-9H2,1-4H3,(H,19,22)
InChIKeyGVGYBVXMPLNOQS-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.07
Rot. Bonds2

About 5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide

5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide (PubChem CID 869893) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide
PubChem CID869893
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide
SMILESCC1(C)CC(=NNC(=O)c2cc(Cl)ccc2O)CC(C)(C)N1
InChIInChI=1S/C16H22ClN3O2/c1-15(2)8-11(9-16(3,4)20-15)18-19-14(22)12-7-10(17)5-6-13(12)21/h5-7,20-21H,8-9H2,1-4H3,(H,19,22)
InChIKeyGVGYBVXMPLNOQS-UHFFFAOYSA-N
XLogP3.07
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4626462
N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide
CID 840860
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide
CID 780477
5-chloro-2-hydroxy-N-sulfanylbenzamide
CID 130240285
5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
CID 9297791
N-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide
CID 17338162
5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9297750
5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 5154909
5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 749495
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 135771109
5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide
CID 6111045

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide (CID 869893) is 5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide is CC1(C)CC(=NNC(=O)c2cc(Cl)ccc2O)CC(C)(C)N1.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide?
The InChIKey is GVGYBVXMPLNOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-15(2)8-11(9-16(3,4)20-15)18-19-14(22)12-7-10(17)5-6-13(12)21/h5-7,20-21H,8-9H2,1-4H3,(H,19,22).
What are the key properties of 5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide?
5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide has a molecular weight of 323.82 g/mol, XLogP of 3.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide is sourced from PubChem (CID 869893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).