4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide

C13H11ClN2O3 — CID 5412255

IUPAC4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2O)o1
InChIInChI=1S/C13H11ClN2O3/c1-8-2-4-10(19-8)7-15-16-13(18)11-5-3-9(14)6-12(11)17/h2-7,17H,1H3,(H,16,18)/b15-7-
InChIKeyRGULXQDZOITCAN-CHHVJCJISA-N
MW278.70 g/mol
LogP2.71
Rot. Bonds3

About 4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide

4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 5412255) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID5412255
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2O)o1
InChIInChI=1S/C13H11ClN2O3/c1-8-2-4-10(19-8)7-15-16-13(18)11-5-3-9(14)6-12(11)17/h2-7,17H,1H3,(H,16,18)/b15-7-
InChIKeyRGULXQDZOITCAN-CHHVJCJISA-N
XLogP2.71
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.71
H-Bond Donors ≤ 52
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

4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5404639
4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide
CID 75212226
2-fluoro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6907963
4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 867441
2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 757986
2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide
CID 5413434
3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5397422
2-(4-chloroanilino)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2863483
(2S)-2-(4-chloroanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide
CID 5403140
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide
CID 126007261
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide (CID 5412255) is 4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2O)o1.
What is the InChIKey of 4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is RGULXQDZOITCAN-CHHVJCJISA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-8-2-4-10(19-8)7-15-16-13(18)11-5-3-9(14)6-12(11)17/h2-7,17H,1H3,(H,16,18)/b15-7-.
What are the key properties of 4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 278.70 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 5412255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).