N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide

C17H16Br2N2O3 — CID 1138293

IUPACN-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide
SMILESCCOc1cc(Br)c(Br)c(/C=N/c2ccc(NC(C)=O)cc2)c1O
InChIInChI=1S/C17H16Br2N2O3/c1-3-24-15-8-14(18)16(19)13(17(15)23)9-20-11-4-6-12(7-5-11)21-10(2)22/h4-9,23H,3H2,1-2H3,(H,21,22)/b20-9+
InChIKeyYDFUFFJFCBJFJC-AWQFTUOYSA-N
MW456.13 g/mol
LogP5.02
Rot. Bonds5

About N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide

N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide (PubChem CID 1138293) has the molecular formula C17H16Br2N2O3 and a molecular weight of 456.13 g/mol. Its IUPAC name is N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide
PubChem CID1138293
Molecular FormulaC17H16Br2N2O3
Molecular Weight456.13 g/mol
Exact Mass453.95
IUPAC NameN-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide
SMILESCCOc1cc(Br)c(Br)c(/C=N/c2ccc(NC(C)=O)cc2)c1O
InChIInChI=1S/C17H16Br2N2O3/c1-3-24-15-8-14(18)16(19)13(17(15)23)9-20-11-4-6-12(7-5-11)21-10(2)22/h4-9,23H,3H2,1-2H3,(H,21,22)/b20-9+
InChIKeyYDFUFFJFCBJFJC-AWQFTUOYSA-N
XLogP5.02
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.13
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide (CID 1138293) is N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide is CCOc1cc(Br)c(Br)c(/C=N/c2ccc(NC(C)=O)cc2)c1O.
What is the InChIKey of N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide?
The InChIKey is YDFUFFJFCBJFJC-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O3/c1-3-24-15-8-14(18)16(19)13(17(15)23)9-20-11-4-6-12(7-5-11)21-10(2)22/h4-9,23H,3H2,1-2H3,(H,21,22)/b20-9+.
What are the key properties of N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide?
N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide has a molecular weight of 456.13 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 1138293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).