6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide

C22H15BrN2O2 — CID 4579373

IUPAC6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H15BrN2O2/c23-17-8-11-20-16(12-17)13-19(21(24)26)22(27-20)25-18-9-6-15(7-10-18)14-4-2-1-3-5-14/h1-13H,(H2,24,26)/b25-22-
InChIKeyOXMQQDKRMHOSEM-LVWGJNHUSA-N
MW419.28 g/mol
LogP5.19
Rot. Bonds3

About 6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide

6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide (PubChem CID 4579373) has the molecular formula C22H15BrN2O2 and a molecular weight of 419.28 g/mol. Its IUPAC name is 6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide
PubChem CID4579373
Molecular FormulaC22H15BrN2O2
Molecular Weight419.28 g/mol
Exact Mass418.03
IUPAC Name6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H15BrN2O2/c23-17-8-11-20-16(12-17)13-19(21(24)26)22(27-20)25-18-9-6-15(7-10-18)14-4-2-1-3-5-14/h1-13H,(H2,24,26)/b25-22-
InChIKeyOXMQQDKRMHOSEM-LVWGJNHUSA-N
XLogP5.19
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.28
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide 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 6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide?
The IUPAC name of 6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide (CID 4579373) is 6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide is NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide?
The InChIKey is OXMQQDKRMHOSEM-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H15BrN2O2/c23-17-8-11-20-16(12-17)13-19(21(24)26)22(27-20)25-18-9-6-15(7-10-18)14-4-2-1-3-5-14/h1-13H,(H2,24,26)/b25-22-.
What are the key properties of 6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide?
6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide has a molecular weight of 419.28 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-phenylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 4579373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).