N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide

C15H15ClN2O4 — CID 135706718

IUPACN-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Cl)c1O
InChIInChI=1S/C15H15ClN2O4/c1-3-21-13-7-10(6-11(16)14(13)19)8-17-18-15(20)12-5-4-9(2)22-12/h4-8,19H,3H2,1-2H3,(H,18,20)/b17-8+
InChIKeyLHCWVOZFTDWCBF-CAOOACKPSA-N
MW322.75 g/mol
LogP3.11
Rot. Bonds5

About N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide

N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide (PubChem CID 135706718) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
PubChem CID135706718
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC NameN-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Cl)c1O
InChIInChI=1S/C15H15ClN2O4/c1-3-21-13-7-10(6-11(16)14(13)19)8-17-18-15(20)12-5-4-9(2)22-12/h4-8,19H,3H2,1-2H3,(H,18,20)/b17-8+
InChIKeyLHCWVOZFTDWCBF-CAOOACKPSA-N
XLogP3.11
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 137168718
N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 3324384
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135784611
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 137131398
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 137085188
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 137147685
5-chloro-N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 1282391
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135643375
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 136789438
4-tert-butyl-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135582484
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643431
2-bromo-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135554853

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide (CID 135706718) is N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide is CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Cl)c1O.
What is the InChIKey of N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide?
The InChIKey is LHCWVOZFTDWCBF-CAOOACKPSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-3-21-13-7-10(6-11(16)14(13)19)8-17-18-15(20)12-5-4-9(2)22-12/h4-8,19H,3H2,1-2H3,(H,18,20)/b17-8+.
What are the key properties of N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide?
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide has a molecular weight of 322.75 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 135706718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).