3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide

C19H15ClN2O3 — CID 10450820

IUPAC3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
InChIInChI=1S/C19H15ClN2O3/c1-25-18-9-7-13(14-4-2-3-5-15(14)18)11-21-22-19(24)12-6-8-17(23)16(20)10-12/h2-11,23H,1H3,(H,22,24)/b21-11+
InChIKeyACMRUPCRSYINDG-SRZZPIQSSA-N
MW354.79 g/mol
LogP3.97
Rot. Bonds4

About 3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide

3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 10450820) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID10450820
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
InChIInChI=1S/C19H15ClN2O3/c1-25-18-9-7-13(14-4-2-3-5-15(14)18)11-21-22-19(24)12-6-8-17(23)16(20)10-12/h2-11,23H,1H3,(H,22,24)/b21-11+
InChIKeyACMRUPCRSYINDG-SRZZPIQSSA-N
XLogP3.97
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.97
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide (CID 10450820) is 3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide is COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12.
What is the InChIKey of 3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is ACMRUPCRSYINDG-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-25-18-9-7-13(14-4-2-3-5-15(14)18)11-21-22-19(24)12-6-8-17(23)16(20)10-12/h2-11,23H,1H3,(H,22,24)/b21-11+.
What are the key properties of 3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 354.79 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 10450820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).