5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide

C24H24BrF3N2O3 — CID 138506505

About 5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide

5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide (PubChem CID 138506505) has the molecular formula C24H24BrF3N2O3 and a molecular weight of 525.37 g/mol. Its IUPAC name is 5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide
• PubChem CID: 138506505
• Molecular Formula: C24H24BrF3N2O3
• Molecular Weight: 525.37 g/mol
• Exact Mass: 524.09
• IUPAC Name: 5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide
• SMILES: CC(C)C[C@@H](C)COc1ccc(-c2ccnc(NC(=O)c3ccc(Br)o3)c2)cc1C(F)(F)F
• InChI: InChI=1S/C24H24BrF3N2O3/c1-14(2)10-15(3)13-32-19-5-4-16(11-18(19)24(26,27)28)17-8-9-29-22(12-17)30-23(31)20-6-7-21(25)33-20/h4-9,11-12,14-15H,10,13H2,1-3H3,(H,29,30,31)/t15-/m1/s1
• InChIKey: NNRFQAPAXHPOJN-OAHLLOKOSA-N
• XLogP: 7.44
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.37
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide?

The IUPAC name of 5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide (CID 138506505) is 5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide.

What is the SMILES notation for 5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide?

The canonical SMILES for 5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide is CC(C)C[C@@H](C)COc1ccc(-c2ccnc(NC(=O)c3ccc(Br)o3)c2)cc1C(F)(F)F.

What is the InChIKey of 5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide?

The InChIKey is NNRFQAPAXHPOJN-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H24BrF3N2O3/c1-14(2)10-15(3)13-32-19-5-4-16(11-18(19)24(26,27)28)17-8-9-29-22(12-17)30-23(31)20-6-7-21(25)33-20/h4-9,11-12,14-15H,10,13H2,1-3H3,(H,29,30,31)/t15-/m1/s1.

What are the key properties of 5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide?

5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide has a molecular weight of 525.37 g/mol, XLogP of 7.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 138506505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).