6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide

C22H18BrF3N2O3 — CID 95184825

IUPAC6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1C(F)(F)F
InChIInChI=1S/C22H18BrF3N2O3/c23-14-7-8-19-13(10-14)11-16(20(29)27-12-15-4-3-9-30-15)21(31-19)28-18-6-2-1-5-17(18)22(24,25)26/h1-2,5-8,10-11,15H,3-4,9,12H2,(H,27,29)/b28-21-/t15-/m1/s1
InChIKeyMYMAZZDIHLNZDE-VCTQWCSZSA-N
MW495.30 g/mol
LogP5.36
Rot. Bonds4

About 6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide

6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (PubChem CID 95184825) has the molecular formula C22H18BrF3N2O3 and a molecular weight of 495.30 g/mol. Its IUPAC name is 6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
PubChem CID95184825
Molecular FormulaC22H18BrF3N2O3
Molecular Weight495.30 g/mol
Exact Mass494.05
IUPAC Name6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1C(F)(F)F
InChIInChI=1S/C22H18BrF3N2O3/c23-14-7-8-19-13(10-14)11-16(20(29)27-12-15-4-3-9-30-15)21(31-19)28-18-6-2-1-5-17(18)22(24,25)26/h1-2,5-8,10-11,15H,3-4,9,12H2,(H,27,29)/b28-21-/t15-/m1/s1
InChIKeyMYMAZZDIHLNZDE-VCTQWCSZSA-N
XLogP5.36
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.30
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]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

Related Compounds

6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184810
6-bromo-2-(2-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184747
6-bromo-2-(3-fluoro-2-methylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366947
6-bromo-2-(3-chloro-2-fluorophenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366926
6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184777
6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184857
6-bromo-2-(5-chloro-2-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184843
6-bromo-2-(4-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184750
6-bromo-2-(3-methylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366891
6-bromo-2-(4-methylsulfanylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184855
6-bromo-2-(3-chloro-4-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184848
6-chloro-2-(5-chloro-2-fluorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184990

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The IUPAC name of 6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (CID 95184825) is 6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is O=C(NC[C@H]1CCCO1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1C(F)(F)F.
What is the InChIKey of 6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The InChIKey is MYMAZZDIHLNZDE-VCTQWCSZSA-N. The full InChI is InChI=1S/C22H18BrF3N2O3/c23-14-7-8-19-13(10-14)11-16(20(29)27-12-15-4-3-9-30-15)21(31-19)28-18-6-2-1-5-17(18)22(24,25)26/h1-2,5-8,10-11,15H,3-4,9,12H2,(H,27,29)/b28-21-/t15-/m1/s1.
What are the key properties of 6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide has a molecular weight of 495.30 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is sourced from PubChem (CID 95184825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).