2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide

C18H18ClNO4 — CID 39078730

IUPAC2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@H]1CC(=O)c2c(OCC(=O)N[C@H](C)c3ccco3)ccc(Cl)c21
InChIInChI=1S/C18H18ClNO4/c1-10-8-13(21)18-15(6-5-12(19)17(10)18)24-9-16(22)20-11(2)14-4-3-7-23-14/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)/t10-,11+/m0/s1
InChIKeyZCRGWQAUGRBGOU-WDEREUQCSA-N
MW347.80 g/mol
LogP3.88
Rot. Bonds5

About 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide

2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide (PubChem CID 39078730) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
PubChem CID39078730
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@H]1CC(=O)c2c(OCC(=O)N[C@H](C)c3ccco3)ccc(Cl)c21
InChIInChI=1S/C18H18ClNO4/c1-10-8-13(21)18-15(6-5-12(19)17(10)18)24-9-16(22)20-11(2)14-4-3-7-23-14/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)/t10-,11+/m0/s1
InChIKeyZCRGWQAUGRBGOU-WDEREUQCSA-N
XLogP3.88
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-pentan-3-ylacetamide
CID 51726505
2-(4-chloronaphthalen-1-yl)oxy-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9328047
2-(2-chlorophenoxy)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9011821
N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
CID 40803983
N-[1-(furan-2-yl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 60594643
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230897
5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 24578790
2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9007049
2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8856625
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940583
2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 81408914
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 51574808

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide (CID 39078730) is 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide is C[C@H]1CC(=O)c2c(OCC(=O)N[C@H](C)c3ccco3)ccc(Cl)c21.
What is the InChIKey of 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The InChIKey is ZCRGWQAUGRBGOU-WDEREUQCSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-10-8-13(21)18-15(6-5-12(19)17(10)18)24-9-16(22)20-11(2)14-4-3-7-23-14/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)/t10-,11+/m0/s1.
What are the key properties of 2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide has a molecular weight of 347.80 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-[(1R)-1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 39078730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).