4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide

C13H17ClN2O2 — CID 7430588

IUPAC4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide
SMILESC/C(CC(C)C)=N\NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H17ClN2O2/c1-8(2)6-9(3)15-16-13(18)11-5-4-10(14)7-12(11)17/h4-5,7-8,17H,6H2,1-3H3,(H,16,18)/b15-9+
InChIKeyMYJSPAWHPVBTMQ-OQLLNIDSSA-N
MW268.74 g/mol
LogP3.20
Rot. Bonds4

About 4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide

4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide (PubChem CID 7430588) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide
PubChem CID7430588
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide
SMILESC/C(CC(C)C)=N\NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H17ClN2O2/c1-8(2)6-9(3)15-16-13(18)11-5-4-10(14)7-12(11)17/h4-5,7-8,17H,6H2,1-3H3,(H,16,18)/b15-9+
InChIKeyMYJSPAWHPVBTMQ-OQLLNIDSSA-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

2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide
CID 6175255
4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442
N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide
CID 3626855
4-chloro-2-hydroxy-N-[(Z)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide
CID 5396965
5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9297750
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103819904
N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137153590
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185164
4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
CID 62692259
2,4-dichloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 135688205
3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492259

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide (CID 7430588) is 4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide is C/C(CC(C)C)=N\NC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide?
The InChIKey is MYJSPAWHPVBTMQ-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8(2)6-9(3)15-16-13(18)11-5-4-10(14)7-12(11)17/h4-5,7-8,17H,6H2,1-3H3,(H,16,18)/b15-9+.
What are the key properties of 4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide?
4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]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 4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide is sourced from PubChem (CID 7430588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).