methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate

C11H13ClN2O4 — CID 135578366

IUPACmethyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
SMILESCCOc1cc(Cl)cc(/C=N/NC(=O)OC)c1O
InChIInChI=1S/C11H13ClN2O4/c1-3-18-9-5-8(12)4-7(10(9)15)6-13-14-11(16)17-2/h4-6,15H,3H2,1-2H3,(H,14,16)/b13-6+
InChIKeyDYJAVDOHUCLQGY-AWNIVKPZSA-N
MW272.69 g/mol
LogP2.13
Rot. Bonds4

About methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate

methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate (PubChem CID 135578366) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
PubChem CID135578366
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Namemethyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
SMILESCCOc1cc(Cl)cc(/C=N/NC(=O)OC)c1O
InChIInChI=1S/C11H13ClN2O4/c1-3-18-9-5-8(12)4-7(10(9)15)6-13-14-11(16)17-2/h4-6,15H,3H2,1-2H3,(H,14,16)/b13-6+
InChIKeyDYJAVDOHUCLQGY-AWNIVKPZSA-N
XLogP2.13
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate 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

2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 139301919
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135884091
methyl N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]carbamate
CID 135852617
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
tert-butyl N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]carbamate
CID 136831624
ethyl N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]carbamate
CID 4266436
methyl N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 135816495
methyl N-[(E)-(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]carbamate
CID 135613521
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135643375
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135541715

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate (CID 135578366) is methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate is CCOc1cc(Cl)cc(/C=N/NC(=O)OC)c1O.
What is the InChIKey of methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate?
The InChIKey is DYJAVDOHUCLQGY-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-3-18-9-5-8(12)4-7(10(9)15)6-13-14-11(16)17-2/h4-6,15H,3H2,1-2H3,(H,14,16)/b13-6+.
What are the key properties of methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate?
methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate has a molecular weight of 272.69 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 135578366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).