N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C25H27F2NO5 — CID 19456761

IUPACN-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccc(COc3cc(C)ccc3C(C)C)o2)ccc1OC(F)F
InChIInChI=1S/C25H27F2NO5/c1-5-30-23-13-17(7-10-20(23)33-25(26)27)28-24(29)21-11-8-18(32-21)14-31-22-12-16(4)6-9-19(22)15(2)3/h6-13,15,25H,5,14H2,1-4H3,(H,28,29)
InChIKeyAHANIQXROGPMRH-UHFFFAOYSA-N
MW459.49 g/mol
LogP6.54
Rot. Bonds10

About N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19456761) has the molecular formula C25H27F2NO5 and a molecular weight of 459.49 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
PubChem CID19456761
Molecular FormulaC25H27F2NO5
Molecular Weight459.49 g/mol
Exact Mass459.19
IUPAC NameN-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccc(COc3cc(C)ccc3C(C)C)o2)ccc1OC(F)F
InChIInChI=1S/C25H27F2NO5/c1-5-30-23-13-17(7-10-20(23)33-25(26)27)28-24(29)21-11-8-18(32-21)14-31-22-12-16(4)6-9-19(22)15(2)3/h6-13,15,25H,5,14H2,1-4H3,(H,28,29)
InChIKeyAHANIQXROGPMRH-UHFFFAOYSA-N
XLogP6.54
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.49
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413402
N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456726
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide
CID 19456697
5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19458762
methyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456728
N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43009388
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride
CID 19619566
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19452984
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19458716
N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19336201
5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19415824
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456708

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19456761) is N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is CCOc1cc(NC(=O)c2ccc(COc3cc(C)ccc3C(C)C)o2)ccc1OC(F)F.
What is the InChIKey of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is AHANIQXROGPMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2NO5/c1-5-30-23-13-17(7-10-20(23)33-25(26)27)28-24(29)21-11-8-18(32-21)14-31-22-12-16(4)6-9-19(22)15(2)3/h6-13,15,25H,5,14H2,1-4H3,(H,28,29).
What are the key properties of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 459.49 g/mol, XLogP of 6.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19456761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).