N-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide

C19H18FNO3 — CID 26565052

IUPACN-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
SMILESC[C@@H]1CC(=O)c2c(OCC(=O)NCc3ccccc3)ccc(F)c21
InChIInChI=1S/C19H18FNO3/c1-12-9-15(22)19-16(8-7-14(20)18(12)19)24-11-17(23)21-10-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,21,23)/t12-/m1/s1
InChIKeyFJIXNQLVFPDXHX-GFCCVEGCSA-N
MW327.36 g/mol
LogP3.21
Rot. Bonds5

About N-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide

N-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide (PubChem CID 26565052) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
PubChem CID26565052
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC NameN-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
SMILESC[C@@H]1CC(=O)c2c(OCC(=O)NCc3ccccc3)ccc(F)c21
InChIInChI=1S/C19H18FNO3/c1-12-9-15(22)19-16(8-7-14(20)18(12)19)24-11-17(23)21-10-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,21,23)/t12-/m1/s1
InChIKeyFJIXNQLVFPDXHX-GFCCVEGCSA-N
XLogP3.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide
CID 24512004
N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
CID 40803983
N-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 17408178
2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 167420894
2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 42952442
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylphenyl)acetamide
CID 24582157
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide
CID 167782230
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
2-[2-(benzylamino)-2-oxoethoxy]-5-chlorobenzoic acid
CID 45417869
N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975403
N-(1,3-benzothiazol-2-ylmethyl)-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-methylacetamide
CID 51935146
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide?
The IUPAC name of N-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide (CID 26565052) is N-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide.
What is the SMILES notation for N-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide?
The canonical SMILES for N-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide is C[C@@H]1CC(=O)c2c(OCC(=O)NCc3ccccc3)ccc(F)c21.
What is the InChIKey of N-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide?
The InChIKey is FJIXNQLVFPDXHX-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-12-9-15(22)19-16(8-7-14(20)18(12)19)24-11-17(23)21-10-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,21,23)/t12-/m1/s1.
What are the key properties of N-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide?
N-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide has a molecular weight of 327.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide is sourced from PubChem (CID 26565052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).