(2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide

C23H21BrN2O2 — CID 142468588

IUPAC(2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide
SMILESCc1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1
InChIInChI=1S/C23H21BrN2O2/c1-17-10-12-21(13-11-17)25-23(27)22(15-19-8-5-9-20(24)14-19)26-28-16-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3,(H,25,27)/b26-22+
InChIKeyWDXRLCQCPKGYRU-XTCLZLMSSA-N
MW437.34 g/mol
LogP5.51
Rot. Bonds7

About (2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide

(2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide (PubChem CID 142468588) has the molecular formula C23H21BrN2O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is (2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide.

Molecular Properties

Compound Name(2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide
PubChem CID142468588
Molecular FormulaC23H21BrN2O2
Molecular Weight437.34 g/mol
Exact Mass436.08
IUPAC Name(2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide
SMILESCc1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1
InChIInChI=1S/C23H21BrN2O2/c1-17-10-12-21(13-11-17)25-23(27)22(15-19-8-5-9-20(24)14-19)26-28-16-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3,(H,25,27)/b26-22+
InChIKeyWDXRLCQCPKGYRU-XTCLZLMSSA-N
XLogP5.51
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide 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 (2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide?
The IUPAC name of (2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide (CID 142468588) is (2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide.
What is the SMILES notation for (2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide?
The canonical SMILES for (2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide is Cc1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1.
What is the InChIKey of (2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide?
The InChIKey is WDXRLCQCPKGYRU-XTCLZLMSSA-N. The full InChI is InChI=1S/C23H21BrN2O2/c1-17-10-12-21(13-11-17)25-23(27)22(15-19-8-5-9-20(24)14-19)26-28-16-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3,(H,25,27)/b26-22+.
What are the key properties of (2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide?
(2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide has a molecular weight of 437.34 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide is sourced from PubChem (CID 142468588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).