5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide

C13H17ClN2O2 — CID 9297750

IUPAC5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
SMILESCC[C@H](C)/C(C)=N\NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H17ClN2O2/c1-4-8(2)9(3)15-16-13(18)11-7-10(14)5-6-12(11)17/h5-8,17H,4H2,1-3H3,(H,16,18)/b15-9-/t8-/m0/s1
InChIKeyQSELMWFQMKYWPG-LMJTTZPHSA-N
MW268.74 g/mol
LogP3.20
Rot. Bonds4

About 5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide

5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide (PubChem CID 9297750) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
PubChem CID9297750
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
SMILESCC[C@H](C)/C(C)=N\NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H17ClN2O2/c1-4-8(2)9(3)15-16-13(18)11-7-10(14)5-6-12(11)17/h5-8,17H,4H2,1-3H3,(H,16,18)/b15-9-/t8-/m0/s1
InChIKeyQSELMWFQMKYWPG-LMJTTZPHSA-N
XLogP3.20
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 9077909
5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 8978679
5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 5154909
2-bromo-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9016507
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613546
5-chloro-N-[[4-(2,5-dichloroanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
CID 3634372
5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide
CID 135412408
4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide
CID 7430588
5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide
CID 114299358
4-[(4-chlorophenoxy)methyl]-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9408975
5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5416440

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide (CID 9297750) is 5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide is CC[C@H](C)/C(C)=N\NC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide?
The InChIKey is QSELMWFQMKYWPG-LMJTTZPHSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-4-8(2)9(3)15-16-13(18)11-7-10(14)5-6-12(11)17/h5-8,17H,4H2,1-3H3,(H,16,18)/b15-9-/t8-/m0/s1.
What are the key properties of 5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide?
5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide has a molecular weight of 268.74 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide is sourced from PubChem (CID 9297750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).