N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide

C16H15ClN2O3 — CID 135577243

IUPACN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H15ClN2O3/c1-2-22-14-6-3-11(4-7-14)16(21)19-18-10-12-9-13(17)5-8-15(12)20/h3-10,20H,2H2,1H3,(H,19,21)/b18-10+
InChIKeyGEEVTSFNVGQORK-VCHYOVAHSA-N
MW318.76 g/mol
LogP3.21
Rot. Bonds5

About N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide

N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide (PubChem CID 135577243) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
PubChem CID135577243
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC NameN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H15ClN2O3/c1-2-22-14-6-3-11(4-7-14)16(21)19-18-10-12-9-13(17)5-8-15(12)20/h3-10,20H,2H2,1H3,(H,19,21)/b18-10+
InChIKeyGEEVTSFNVGQORK-VCHYOVAHSA-N
XLogP3.21
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246115
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 136718827
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(E)-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246357
N-[(Z)-(5-chloro-2-phenylmethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148787
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
N-[(E)-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246366
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 136671572
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
CID 3127374
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 126103010
4-bromo-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135504175
5-chloro-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137047420

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide (CID 135577243) is N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)cc1.
What is the InChIKey of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide?
The InChIKey is GEEVTSFNVGQORK-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-2-22-14-6-3-11(4-7-14)16(21)19-18-10-12-9-13(17)5-8-15(12)20/h3-10,20H,2H2,1H3,(H,19,21)/b18-10+.
What are the key properties of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide?
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide has a molecular weight of 318.76 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 135577243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).