N-ethyl-2-[4-[(E)-(7-fluoro-4-hydroxy-1-methyl-3-oxo-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide

C22H22FNO5 — CID 132986983

IUPACN-ethyl-2-[4-[(E)-(7-fluoro-4-hydroxy-1-methyl-3-oxo-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide
SMILESCCNC(=O)COc1ccc(/C=C2/C(=O)c3c(O)ccc(F)c3C2C)cc1OC
InChIInChI=1S/C22H22FNO5/c1-4-24-19(26)11-29-17-8-5-13(10-18(17)28-3)9-14-12(2)20-15(23)6-7-16(25)21(20)22(14)27/h5-10,12,25H,4,11H2,1-3H3,(H,24,26)/b14-9+
InChIKeyOZCVCZKTXWCIFD-NTEUORMPSA-N
MW399.42 g/mol
LogP3.44
Rot. Bonds6

About N-ethyl-2-[4-[(E)-(7-fluoro-4-hydroxy-1-methyl-3-oxo-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide

N-ethyl-2-[4-[(E)-(7-fluoro-4-hydroxy-1-methyl-3-oxo-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide (PubChem CID 132986983) has the molecular formula C22H22FNO5 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-ethyl-2-[4-[(E)-(7-fluoro-4-hydroxy-1-methyl-3-oxo-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[(E)-(7-fluoro-4-hydroxy-1-methyl-3-oxo-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide
PubChem CID132986983
Molecular FormulaC22H22FNO5
Molecular Weight399.42 g/mol
Exact Mass399.15
IUPAC NameN-ethyl-2-[4-[(E)-(7-fluoro-4-hydroxy-1-methyl-3-oxo-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide
SMILESCCNC(=O)COc1ccc(/C=C2/C(=O)c3c(O)ccc(F)c3C2C)cc1OC
InChIInChI=1S/C22H22FNO5/c1-4-24-19(26)11-29-17-8-5-13(10-18(17)28-3)9-14-12(2)20-15(23)6-7-16(25)21(20)22(14)27/h5-10,12,25H,4,11H2,1-3H3,(H,24,26)/b14-9+
InChIKeyOZCVCZKTXWCIFD-NTEUORMPSA-N
XLogP3.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[2-methoxy-4-[(E)-[(3S)-3-methyl-2-oxocyclohexylidene]methyl]phenoxy]acetamide
CID 9028988
2-[4-[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 8826938
methyl N-[(E)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]carbamate
CID 6910037
N-ethyl-2-[4-[(E)-3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetamide
CID 7946232
N-ethyl-2-[2-methoxy-4-[(E)-3-(2-methoxy-5-methylphenyl)-3-oxoprop-1-enyl]phenoxy]acetamide
CID 9040246
2-[4-[(E)-3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 8859109
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
2-[4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 7947909
N-benzyl-2-[4-[(1,3-dioxoinden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide
CID 1020513
2-[4-[(E)-(6-chloro-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-3-ylidene)methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 18081509
2-[4-[(E)-3-(2,5-dimethylphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 9448545
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 30120639

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(E)-(7-fluoro-4-hydroxy-1-methyl-3-oxo-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of N-ethyl-2-[4-[(E)-(7-fluoro-4-hydroxy-1-methyl-3-oxo-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide (CID 132986983) is N-ethyl-2-[4-[(E)-(7-fluoro-4-hydroxy-1-methyl-3-oxo-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[(E)-(7-fluoro-4-hydroxy-1-methyl-3-oxo-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[4-[(E)-(7-fluoro-4-hydroxy-1-methyl-3-oxo-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide is CCNC(=O)COc1ccc(/C=C2/C(=O)c3c(O)ccc(F)c3C2C)cc1OC.
What is the InChIKey of N-ethyl-2-[4-[(E)-(7-fluoro-4-hydroxy-1-methyl-3-oxo-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is OZCVCZKTXWCIFD-NTEUORMPSA-N. The full InChI is InChI=1S/C22H22FNO5/c1-4-24-19(26)11-29-17-8-5-13(10-18(17)28-3)9-14-12(2)20-15(23)6-7-16(25)21(20)22(14)27/h5-10,12,25H,4,11H2,1-3H3,(H,24,26)/b14-9+.
What are the key properties of N-ethyl-2-[4-[(E)-(7-fluoro-4-hydroxy-1-methyl-3-oxo-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide?
N-ethyl-2-[4-[(E)-(7-fluoro-4-hydroxy-1-methyl-3-oxo-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 399.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(E)-(7-fluoro-4-hydroxy-1-methyl-3-oxo-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 132986983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).