N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C24H25F2NO4 — CID 19456726

About N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19456726) has the molecular formula C24H25F2NO4 and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19456726
• Molecular Formula: C24H25F2NO4
• Molecular Weight: 429.46 g/mol
• Exact Mass: 429.18
• IUPAC Name: N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3ccc(OC(F)F)cc3C)o2)c1
• InChI: InChI=1S/C24H25F2NO4/c1-14(2)19-8-5-15(3)11-22(19)29-13-18-7-10-21(30-18)23(28)27-20-9-6-17(12-16(20)4)31-24(25)26/h5-12,14,24H,13H2,1-4H3,(H,27,28)
• InChIKey: RHKHTNCKUQZMFC-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 60.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.46
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19456726) is N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3ccc(OC(F)F)cc3C)o2)c1.

What is the InChIKey of N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The InChIKey is RHKHTNCKUQZMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2NO4/c1-14(2)19-8-5-15(3)11-22(19)29-13-18-7-10-21(30-18)23(28)27-20-9-6-17(12-16(20)4)31-24(25)26/h5-12,14,24H,13H2,1-4H3,(H,27,28).

What are the key properties of N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 6.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19456726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).