5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide

C15H13ClN2O5 — CID 135412408

IUPAC5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1cc(Cl)ccc1O)c1c(O)cc(C)oc1=O
InChIInChI=1S/C15H13ClN2O5/c1-7-5-12(20)13(15(22)23-7)8(2)17-18-14(21)10-6-9(16)3-4-11(10)19/h3-6,19-20H,1-2H3,(H,18,21)
InChIKeySRLQGNJOPAHIRY-UHFFFAOYSA-N
MW336.73 g/mol
LogP2.17
Rot. Bonds3

About 5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide

5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide (PubChem CID 135412408) has the molecular formula C15H13ClN2O5 and a molecular weight of 336.73 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide
PubChem CID135412408
Molecular FormulaC15H13ClN2O5
Molecular Weight336.73 g/mol
Exact Mass336.05
IUPAC Name5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1cc(Cl)ccc1O)c1c(O)cc(C)oc1=O
InChIInChI=1S/C15H13ClN2O5/c1-7-5-12(20)13(15(22)23-7)8(2)17-18-14(21)10-6-9(16)3-4-11(10)19/h3-6,19-20H,1-2H3,(H,18,21)
InChIKeySRLQGNJOPAHIRY-UHFFFAOYSA-N
XLogP2.17
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-chloro-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide
CID 135607776
2-fluoro-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide
CID 135496457
N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-4-methylbenzamide
CID 135685410
4-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide
CID 135458602
N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2-nitrobenzamide
CID 135400720
N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-3,4-dimethylbenzamide
CID 135679501
2-(4-chloro-2-methylphenoxy)-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]acetamide
CID 135679163
4-chloro-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzenesulfonamide
CID 135426139
4-(2,4-dichlorophenoxy)-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]butanamide
CID 135647724
N-[(Z)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]pyridine-3-carboxamide
CID 136791522
N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135616092
N-[(Z)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]cyclopropanecarboxamide
CID 136672399

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide (CID 135412408) is 5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide is CC(=NNC(=O)c1cc(Cl)ccc1O)c1c(O)cc(C)oc1=O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide?
The InChIKey is SRLQGNJOPAHIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5/c1-7-5-12(20)13(15(22)23-7)8(2)17-18-14(21)10-6-9(16)3-4-11(10)19/h3-6,19-20H,1-2H3,(H,18,21).
What are the key properties of 5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide?
5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide has a molecular weight of 336.73 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide is sourced from PubChem (CID 135412408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).