5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide

C21H16ClF2NO5 — CID 19455289

IUPAC5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)o2)cc1
InChIInChI=1S/C21H16ClF2NO5/c1-12(26)13-2-5-15(6-3-13)28-11-16-7-9-19(29-16)20(27)25-14-4-8-18(17(22)10-14)30-21(23)24/h2-10,21H,11H2,1H3,(H,25,27)
InChIKeyQBQYAOCNOLSHDX-UHFFFAOYSA-N
MW435.81 g/mol
LogP5.57
Rot. Bonds8

About 5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide

5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide (PubChem CID 19455289) has the molecular formula C21H16ClF2NO5 and a molecular weight of 435.81 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide
PubChem CID19455289
Molecular FormulaC21H16ClF2NO5
Molecular Weight435.81 g/mol
Exact Mass435.07
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)o2)cc1
InChIInChI=1S/C21H16ClF2NO5/c1-12(26)13-2-5-15(6-3-13)28-11-16-7-9-19(29-16)20(27)25-14-4-8-18(17(22)10-14)30-21(23)24/h2-10,21H,11H2,1H3,(H,25,27)
InChIKeyQBQYAOCNOLSHDX-UHFFFAOYSA-N
XLogP5.57
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.81
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455504
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
5-[(4-acetylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]furan-2-carboxamide
CID 19455292
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413402
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19416966
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
5-[(4-acetylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455200
5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19458762
5-[(4-acetylphenoxy)methyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide
CID 35526440
5-[(4-acetylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 19455335

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide (CID 19455289) is 5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide is CC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)o2)cc1.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide?
The InChIKey is QBQYAOCNOLSHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF2NO5/c1-12(26)13-2-5-15(6-3-13)28-11-16-7-9-19(29-16)20(27)25-14-4-8-18(17(22)10-14)30-21(23)24/h2-10,21H,11H2,1H3,(H,25,27).
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide has a molecular weight of 435.81 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19455289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).