2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide

C17H22ClNO3 — CID 51726505

IUPAC2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(Cl)c2c1C(=O)C[C@@H]2C
InChIInChI=1S/C17H22ClNO3/c1-4-11(5-2)19-15(21)9-22-14-7-6-12(18)16-10(3)8-13(20)17(14)16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,21)/t10-/m0/s1
InChIKeyICURBQJYMBYFIT-JTQLQIEISA-N
MW323.82 g/mol
LogP3.71
Rot. Bonds6

About 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide

2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide (PubChem CID 51726505) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide
PubChem CID51726505
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(Cl)c2c1C(=O)C[C@@H]2C
InChIInChI=1S/C17H22ClNO3/c1-4-11(5-2)19-15(21)9-22-14-7-6-12(18)16-10(3)8-13(20)17(14)16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,21)/t10-/m0/s1
InChIKeyICURBQJYMBYFIT-JTQLQIEISA-N
XLogP3.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
CID 40803983
2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 39087137
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 62074581
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 42927570
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide
CID 63364503
2-(2-chloro-5-nitrophenoxy)-N-pentan-3-ylacetamide
CID 79496401
2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide
CID 24512004
2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide
CID 61490026
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide
CID 24582153

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide (CID 51726505) is 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1ccc(Cl)c2c1C(=O)C[C@@H]2C.
What is the InChIKey of 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide?
The InChIKey is ICURBQJYMBYFIT-JTQLQIEISA-N. The full InChI is InChI=1S/C17H22ClNO3/c1-4-11(5-2)19-15(21)9-22-14-7-6-12(18)16-10(3)8-13(20)17(14)16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,21)/t10-/m0/s1.
What are the key properties of 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide?
2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide has a molecular weight of 323.82 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 51726505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).