tert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate

C23H27Cl2NO5 — CID 20520810

IUPACtert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate
SMILESCCC12CCC(=O)C=C1c1c(cc(OCC(=O)NCC(=O)OC(C)(C)C)c(Cl)c1Cl)C2
InChIInChI=1S/C23H27Cl2NO5/c1-5-23-7-6-14(27)9-15(23)19-13(10-23)8-16(20(24)21(19)25)30-12-17(28)26-11-18(29)31-22(2,3)4/h8-9H,5-7,10-12H2,1-4H3,(H,26,28)
InChIKeyNGXYQSTVVUUGDS-UHFFFAOYSA-N
MW468.38 g/mol
LogP4.53
Rot. Bonds6

About tert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate

tert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate (PubChem CID 20520810) has the molecular formula C23H27Cl2NO5 and a molecular weight of 468.38 g/mol. Its IUPAC name is tert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate
PubChem CID20520810
Molecular FormulaC23H27Cl2NO5
Molecular Weight468.38 g/mol
Exact Mass467.13
IUPAC Nametert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate
SMILESCCC12CCC(=O)C=C1c1c(cc(OCC(=O)NCC(=O)OC(C)(C)C)c(Cl)c1Cl)C2
InChIInChI=1S/C23H27Cl2NO5/c1-5-23-7-6-14(27)9-15(23)19-13(10-23)8-16(20(24)21(19)25)30-12-17(28)26-11-18(29)31-22(2,3)4/h8-9H,5-7,10-12H2,1-4H3,(H,26,28)
InChIKeyNGXYQSTVVUUGDS-UHFFFAOYSA-N
XLogP4.53
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]-N-methylsulfonylacetamide
CID 14306607
2-[[(8aR)-3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl]oxy]-N'-methylethanimidamide;hydrochloride
CID 70438284
2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]-4-methoxybutanoic acid
CID 70517094
2-[(3,4-dichloro-6-oxo-8a-propyl-7,8,9,10-tetrahydrophenanthren-2-yl)oxy]ethanimidamide
CID 21289571
2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]-3-pyridin-4-ylpropanoic acid
CID 70517333
2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid
CID 70387287
(9aR)-5,6-dichloro-7-[[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-9a-propyl-2,9-dihydro-1H-fluoren-3-one
CID 20666295
2-[[(8aR)-9-acetyloxy-3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl]oxy]acetic acid
CID 22841135
2-[(6,7-dichloro-2-cyclopropyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]acetic acid
CID 70552076
methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate
CID 43404773
5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one
CID 20520823
2-[[(1Z)-6,7-dichloro-2-(1-hydroxycyclopentyl)-1-hydroxyimino-2-methyl-3H-inden-5-yl]oxy]acetic acid
CID 88839805

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate (CID 20520810) is tert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate is CCC12CCC(=O)C=C1c1c(cc(OCC(=O)NCC(=O)OC(C)(C)C)c(Cl)c1Cl)C2.
What is the InChIKey of tert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate?
The InChIKey is NGXYQSTVVUUGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2NO5/c1-5-23-7-6-14(27)9-15(23)19-13(10-23)8-16(20(24)21(19)25)30-12-17(28)26-11-18(29)31-22(2,3)4/h8-9H,5-7,10-12H2,1-4H3,(H,26,28).
What are the key properties of tert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate?
tert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate has a molecular weight of 468.38 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate is sourced from PubChem (CID 20520810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).