N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide

C19H20FNO3 — CID 86833068

IUPACN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccccc1C(=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C19H20FNO3/c1-23-11-12-24-18-8-3-2-5-15(18)19(22)21-17-10-9-13-14(17)6-4-7-16(13)20/h2-8,17H,9-12H2,1H3,(H,21,22)
InChIKeyVQCGHPPXMDDBSS-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.27
Rot. Bonds6

About N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide

N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide (PubChem CID 86833068) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide
PubChem CID86833068
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccccc1C(=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C19H20FNO3/c1-23-11-12-24-18-8-3-2-5-15(18)19(22)21-17-10-9-13-14(17)6-4-7-16(13)20/h2-8,17H,9-12H2,1H3,(H,21,22)
InChIKeyVQCGHPPXMDDBSS-UHFFFAOYSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 142729745
4-(2-methoxyethoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63090830
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 86833145
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridine-2-carboxamide
CID 47380307
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide
CID 51125193
2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 86963003
(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide
CID 96538056
3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
CID 97248736
1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 96999589
1-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 96999591
N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide
CID 142729781
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide?
The IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide (CID 86833068) is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide is COCCOc1ccccc1C(=O)NC1CCc2c(F)cccc21.
What is the InChIKey of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide?
The InChIKey is VQCGHPPXMDDBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-23-11-12-24-18-8-3-2-5-15(18)19(22)21-17-10-9-13-14(17)6-4-7-16(13)20/h2-8,17H,9-12H2,1H3,(H,21,22).
What are the key properties of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide?
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide has a molecular weight of 329.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 86833068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).