2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide

C23H19ClN2O — CID 174500581

IUPAC2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide
SMILESC=C(/C(N)=N/c1ccc(Cl)cc1)c1ccc(-c2ccccc2C(C)=O)cc1
InChIInChI=1S/C23H19ClN2O/c1-15(23(25)26-20-13-11-19(24)12-14-20)17-7-9-18(10-8-17)22-6-4-3-5-21(22)16(2)27/h3-14H,1H2,2H3,(H2,25,26)
InChIKeyRZBCDDZCGUNZPU-UHFFFAOYSA-N
MW374.87 g/mol
LogP5.91
Rot. Bonds5

About 2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide

2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide (PubChem CID 174500581) has the molecular formula C23H19ClN2O and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide.

Molecular Properties

Compound Name2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide
PubChem CID174500581
Molecular FormulaC23H19ClN2O
Molecular Weight374.87 g/mol
Exact Mass374.12
IUPAC Name2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide
SMILESC=C(/C(N)=N/c1ccc(Cl)cc1)c1ccc(-c2ccccc2C(C)=O)cc1
InChIInChI=1S/C23H19ClN2O/c1-15(23(25)26-20-13-11-19(24)12-14-20)17-7-9-18(10-8-17)22-6-4-3-5-21(22)16(2)27/h3-14H,1H2,2H3,(H2,25,26)
InChIKeyRZBCDDZCGUNZPU-UHFFFAOYSA-N
XLogP5.91
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide 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 2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide?
The IUPAC name of 2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide (CID 174500581) is 2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide.
What is the SMILES notation for 2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide?
The canonical SMILES for 2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide is C=C(/C(N)=N/c1ccc(Cl)cc1)c1ccc(-c2ccccc2C(C)=O)cc1.
What is the InChIKey of 2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide?
The InChIKey is RZBCDDZCGUNZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O/c1-15(23(25)26-20-13-11-19(24)12-14-20)17-7-9-18(10-8-17)22-6-4-3-5-21(22)16(2)27/h3-14H,1H2,2H3,(H2,25,26).
What are the key properties of 2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide?
2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide has a molecular weight of 374.87 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide is sourced from PubChem (CID 174500581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).