5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide

C21H18FNO4 — CID 19455249

IUPAC5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)Nc3cc(C)ccc3F)o2)cc1
InChIInChI=1S/C21H18FNO4/c1-13-3-9-18(22)19(11-13)23-21(25)20-10-8-17(27-20)12-26-16-6-4-15(5-7-16)14(2)24/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyVETXBFTYMZQIBA-UHFFFAOYSA-N
MW367.38 g/mol
LogP4.76
Rot. Bonds6

About 5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide

5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide (PubChem CID 19455249) has the molecular formula C21H18FNO4 and a molecular weight of 367.38 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide
PubChem CID19455249
Molecular FormulaC21H18FNO4
Molecular Weight367.38 g/mol
Exact Mass367.12
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)Nc3cc(C)ccc3F)o2)cc1
InChIInChI=1S/C21H18FNO4/c1-13-3-9-18(22)19(11-13)23-21(25)20-10-8-17(27-20)12-26-16-6-4-15(5-7-16)14(2)24/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyVETXBFTYMZQIBA-UHFFFAOYSA-N
XLogP4.76
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467243
5-[(4-acetylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]furan-2-carboxamide
CID 19455292
N-(2-fluoro-5-methylphenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455034
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
N-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830642
5-[(4-bromophenoxy)methyl]-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 19413541
5-[(4-acetylphenoxy)methyl]-N-(4-chloro-2-nitrophenyl)furan-2-carboxamide
CID 19455225
5-[(4-acetylphenoxy)methyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 35529765
5-[(4-acetylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455200
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide
CID 19459513
4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide
CID 78769431
5-[(4-acetylphenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 19455175

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide (CID 19455249) is 5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide is CC(=O)c1ccc(OCc2ccc(C(=O)Nc3cc(C)ccc3F)o2)cc1.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide?
The InChIKey is VETXBFTYMZQIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO4/c1-13-3-9-18(22)19(11-13)23-21(25)20-10-8-17(27-20)12-26-16-6-4-15(5-7-16)14(2)24/h3-11H,12H2,1-2H3,(H,23,25).
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 19455249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).