N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-cyclopropyloxamide

C14H16BrN3O4 — CID 135521410

IUPACN'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-cyclopropyloxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1O
InChIInChI=1S/C14H16BrN3O4/c1-2-22-11-6-8(5-10(15)12(11)19)7-16-18-14(21)13(20)17-9-3-4-9/h5-7,9,19H,2-4H2,1H3,(H,17,20)(H,18,21)/b16-7+
InChIKeyLGQUGJCIRXFSEE-FRKPEAEDSA-N
MW370.20 g/mol
LogP1.28
Rot. Bonds5

About N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-cyclopropyloxamide

N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-cyclopropyloxamide (PubChem CID 135521410) has the molecular formula C14H16BrN3O4 and a molecular weight of 370.20 g/mol. Its IUPAC name is N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-cyclopropyloxamide.

Molecular Properties

Compound NameN'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-cyclopropyloxamide
PubChem CID135521410
Molecular FormulaC14H16BrN3O4
Molecular Weight370.20 g/mol
Exact Mass369.03
IUPAC NameN'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-cyclopropyloxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1O
InChIInChI=1S/C14H16BrN3O4/c1-2-22-11-6-8(5-10(15)12(11)19)7-16-18-14(21)13(20)17-9-3-4-9/h5-7,9,19H,2-4H2,1H3,(H,17,20)(H,18,21)/b16-7+
InChIKeyLGQUGJCIRXFSEE-FRKPEAEDSA-N
XLogP1.28
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.20
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-cyclopropyloxamide?
The IUPAC name of N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-cyclopropyloxamide (CID 135521410) is N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-cyclopropyloxamide.
What is the SMILES notation for N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-cyclopropyloxamide?
The canonical SMILES for N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-cyclopropyloxamide is CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1O.
What is the InChIKey of N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-cyclopropyloxamide?
The InChIKey is LGQUGJCIRXFSEE-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H16BrN3O4/c1-2-22-11-6-8(5-10(15)12(11)19)7-16-18-14(21)13(20)17-9-3-4-9/h5-7,9,19H,2-4H2,1H3,(H,17,20)(H,18,21)/b16-7+.
What are the key properties of N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-cyclopropyloxamide?
N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-cyclopropyloxamide has a molecular weight of 370.20 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-cyclopropyloxamide is sourced from PubChem (CID 135521410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).