2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide

C19H11ClF3IN2O2 — CID 3681958

IUPAC2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cc(I)ccc1Cl
InChIInChI=1S/C19H11ClF3IN2O2/c20-16-6-4-13(24)9-15(16)18(27)26-25-10-14-5-7-17(28-14)11-2-1-3-12(8-11)19(21,22)23/h1-10H,(H,26,27)
InChIKeyOZYWJQWPKNFHEK-UHFFFAOYSA-N
MW518.66 g/mol
LogP5.99
Rot. Bonds4

About 2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide

2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide (PubChem CID 3681958) has the molecular formula C19H11ClF3IN2O2 and a molecular weight of 518.66 g/mol. Its IUPAC name is 2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
PubChem CID3681958
Molecular FormulaC19H11ClF3IN2O2
Molecular Weight518.66 g/mol
Exact Mass517.95
IUPAC Name2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cc(I)ccc1Cl
InChIInChI=1S/C19H11ClF3IN2O2/c20-16-6-4-13(24)9-15(16)18(27)26-25-10-14-5-7-17(28-14)11-2-1-3-12(8-11)19(21,22)23/h1-10H,(H,26,27)
InChIKeyOZYWJQWPKNFHEK-UHFFFAOYSA-N
XLogP5.99
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide (CID 3681958) is 2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide is O=C(NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cc(I)ccc1Cl.
What is the InChIKey of 2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide?
The InChIKey is OZYWJQWPKNFHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3IN2O2/c20-16-6-4-13(24)9-15(16)18(27)26-25-10-14-5-7-17(28-14)11-2-1-3-12(8-11)19(21,22)23/h1-10H,(H,26,27).
What are the key properties of 2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide?
2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide has a molecular weight of 518.66 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 3681958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).