5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide

C24H25F2NO4 — CID 19452486

IUPAC5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(OC(F)F)ccc1NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1
InChIInChI=1S/C24H25F2NO4/c1-15-13-18(31-23(25)26)9-11-20(15)27-22(28)21-12-10-19(30-21)14-29-17-7-5-16(6-8-17)24(2,3)4/h5-13,23H,14H2,1-4H3,(H,27,28)
InChIKeyWUKYTIJLNGQDJF-UHFFFAOYSA-N
MW429.46 g/mol
LogP6.32
Rot. Bonds7

About 5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide

5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide (PubChem CID 19452486) has the molecular formula C24H25F2NO4 and a molecular weight of 429.46 g/mol. Its IUPAC name is 5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
PubChem CID19452486
Molecular FormulaC24H25F2NO4
Molecular Weight429.46 g/mol
Exact Mass429.18
IUPAC Name5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(OC(F)F)ccc1NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1
InChIInChI=1S/C24H25F2NO4/c1-15-13-18(31-23(25)26)9-11-20(15)27-22(28)21-12-10-19(30-21)14-29-17-7-5-16(6-8-17)24(2,3)4/h5-13,23H,14H2,1-4H3,(H,27,28)
InChIKeyWUKYTIJLNGQDJF-UHFFFAOYSA-N
XLogP6.32
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.46
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465916
5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19450342
N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456726
5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19415790
5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19450723
5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 19452541
5-[(4-tert-butylphenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 19452519
5-[(4-tert-butylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
CID 19450727
5-[(4-acetylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]furan-2-carboxamide
CID 19455292
5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19417062
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455504
N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455386

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide (CID 19452486) is 5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide is Cc1cc(OC(F)F)ccc1NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1.
What is the InChIKey of 5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is WUKYTIJLNGQDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2NO4/c1-15-13-18(31-23(25)26)9-11-20(15)27-22(28)21-12-10-19(30-21)14-29-17-7-5-16(6-8-17)24(2,3)4/h5-13,23H,14H2,1-4H3,(H,27,28).
What are the key properties of 5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide?
5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 19452486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).