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

C25H22FNO3 — CID 40803983

IUPACN-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
SMILESC[C@H]1CC(=O)c2c(OCC(=O)NC(c3ccccc3)c3ccccc3)ccc(F)c21
InChIInChI=1S/C25H22FNO3/c1-16-14-20(28)24-21(13-12-19(26)23(16)24)30-15-22(29)27-25(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,25H,14-15H2,1H3,(H,27,29)/t16-/m0/s1
InChIKeyVQCPISZKMJYPQZ-INIZCTEOSA-N
MW403.45 g/mol
LogP4.80
Rot. Bonds6

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

N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide (PubChem CID 40803983) has the molecular formula C25H22FNO3 and a molecular weight of 403.45 g/mol. Its IUPAC name is N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
PubChem CID40803983
Molecular FormulaC25H22FNO3
Molecular Weight403.45 g/mol
Exact Mass403.16
IUPAC NameN-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
SMILESC[C@H]1CC(=O)c2c(OCC(=O)NC(c3ccccc3)c3ccccc3)ccc(F)c21
InChIInChI=1S/C25H22FNO3/c1-16-14-20(28)24-21(13-12-19(26)23(16)24)30-15-22(29)27-25(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,25H,14-15H2,1H3,(H,27,29)/t16-/m0/s1
InChIKeyVQCPISZKMJYPQZ-INIZCTEOSA-N
XLogP4.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
CID 26565052
2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide
CID 24512004
2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide
CID 51726505
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-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 39078730
N-(5-chloro-2-methoxyphenyl)-2-[(7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 46405285
2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 25485900
7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-4-fluoro-3-methyl-2,3-dihydroinden-1-one
CID 17467094
2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 42952442
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-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylphenyl)acetamide
CID 24582157
N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide
CID 19169265

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide?
The IUPAC name of N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide (CID 40803983) is N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide.
What is the SMILES notation for N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide?
The canonical SMILES for N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide is C[C@H]1CC(=O)c2c(OCC(=O)NC(c3ccccc3)c3ccccc3)ccc(F)c21.
What is the InChIKey of N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide?
The InChIKey is VQCPISZKMJYPQZ-INIZCTEOSA-N. The full InChI is InChI=1S/C25H22FNO3/c1-16-14-20(28)24-21(13-12-19(26)23(16)24)30-15-22(29)27-25(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,25H,14-15H2,1H3,(H,27,29)/t16-/m0/s1.
What are the key properties of N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide?
N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide has a molecular weight of 403.45 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide is sourced from PubChem (CID 40803983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).