N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide

C18H19ClN2O4 — CID 110509511

IUPACN-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccccc2O)cc(Cl)c1OCC
InChIInChI=1S/C18H19ClN2O4/c1-3-24-16-10-12(9-14(19)17(16)25-4-2)11-20-21-18(23)13-7-5-6-8-15(13)22/h5-11,22H,3-4H2,1-2H3,(H,21,23)/b20-11-
InChIKeyLSXPOTUESZJCTC-JAIQZWGSSA-N
MW362.81 g/mol
LogP3.61
Rot. Bonds7

About N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide

N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 110509511) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID110509511
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccccc2O)cc(Cl)c1OCC
InChIInChI=1S/C18H19ClN2O4/c1-3-24-16-10-12(9-14(19)17(16)25-4-2)11-20-21-18(23)13-7-5-6-8-15(13)22/h5-11,22H,3-4H2,1-2H3,(H,21,23)/b20-11-
InChIKeyLSXPOTUESZJCTC-JAIQZWGSSA-N
XLogP3.61
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509515
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110509413
N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 9235761
2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512074
2-bromo-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135554853
2-bromo-N-[(Z)-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 124537102
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 3997670
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
N-[(Z)-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 94851346
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135643375
N-[(E)-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110507222
2-bromo-N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 17245478

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide (CID 110509511) is N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide is CCOc1cc(/C=N\NC(=O)c2ccccc2O)cc(Cl)c1OCC.
What is the InChIKey of N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is LSXPOTUESZJCTC-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-3-24-16-10-12(9-14(19)17(16)25-4-2)11-20-21-18(23)13-7-5-6-8-15(13)22/h5-11,22H,3-4H2,1-2H3,(H,21,23)/b20-11-.
What are the key properties of N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 362.81 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 110509511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).