N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide

C17H17ClN2O5 — CID 135747933

IUPACN-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2cc(O)c(O)c(Cl)c2)cc1OC
InChIInChI=1S/C17H17ClN2O5/c1-3-25-14-5-4-11(8-15(14)24-2)17(23)20-19-9-10-6-12(18)16(22)13(21)7-10/h4-9,21-22H,3H2,1-2H3,(H,20,23)/b19-9+
InChIKeyXVOYHYNEJUGRNW-DJKKODMXSA-N
MW364.79 g/mol
LogP2.92
Rot. Bonds6

About N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide

N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide (PubChem CID 135747933) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
PubChem CID135747933
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC NameN-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2cc(O)c(O)c(Cl)c2)cc1OC
InChIInChI=1S/C17H17ClN2O5/c1-3-25-14-5-4-11(8-15(14)24-2)17(23)20-19-9-10-6-12(18)16(22)13(21)7-10/h4-9,21-22H,3H2,1-2H3,(H,20,23)/b19-9+
InChIKeyXVOYHYNEJUGRNW-DJKKODMXSA-N
XLogP2.92
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 137160364
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 126333569
N-[(E)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 137160378
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 137143662
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 137068504
N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126341638
N-[(E)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 137068230
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126319051
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126316989
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 135710501
N-[(E)-(3,4-dihydroxy-5-methoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 135577251

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide?
The IUPAC name of N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide (CID 135747933) is N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide.
What is the SMILES notation for N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide?
The canonical SMILES for N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide is CCOc1ccc(C(=O)N/N=C/c2cc(O)c(O)c(Cl)c2)cc1OC.
What is the InChIKey of N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide?
The InChIKey is XVOYHYNEJUGRNW-DJKKODMXSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-3-25-14-5-4-11(8-15(14)24-2)17(23)20-19-9-10-6-12(18)16(22)13(21)7-10/h4-9,21-22H,3H2,1-2H3,(H,20,23)/b19-9+.
What are the key properties of N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide?
N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide has a molecular weight of 364.79 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide is sourced from PubChem (CID 135747933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).