4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide

C15H11ClF2N2O2 — CID 2691883

IUPAC4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccccc1OC(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF2N2O2/c16-12-7-5-10(6-8-12)14(21)20-19-9-11-3-1-2-4-13(11)22-15(17)18/h1-9,15H,(H,20,21)
InChIKeyQPDAEDFDKPMYEE-UHFFFAOYSA-N
MW324.71 g/mol
LogP3.71
Rot. Bonds5

About 4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide

4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide (PubChem CID 2691883) has the molecular formula C15H11ClF2N2O2 and a molecular weight of 324.71 g/mol. Its IUPAC name is 4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
PubChem CID2691883
Molecular FormulaC15H11ClF2N2O2
Molecular Weight324.71 g/mol
Exact Mass324.05
IUPAC Name4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccccc1OC(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF2N2O2/c16-12-7-5-10(6-8-12)14(21)20-19-9-11-3-1-2-4-13(11)22-15(17)18/h1-9,15H,(H,20,21)
InChIKeyQPDAEDFDKPMYEE-UHFFFAOYSA-N
XLogP3.71
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.71
LogP ≤ 53.71
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 4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 124508573
4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5334393
4-fluoro-N-[(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 841414
4-fluoro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5412153
N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide
CID 3325601
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
CID 6903993
N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2594194
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide
CID 42991298
4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110338654
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359895
4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 9070685

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide (CID 2691883) is 4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide is O=C(NN=Cc1ccccc1OC(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide?
The InChIKey is QPDAEDFDKPMYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O2/c16-12-7-5-10(6-8-12)14(21)20-19-9-11-3-1-2-4-13(11)22-15(17)18/h1-9,15H,(H,20,21).
What are the key properties of 4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide?
4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide has a molecular weight of 324.71 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 2691883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).