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

C19H17FN2O5 — CID 42883513

IUPAC2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-methyl-N-(4-nitrophenyl)acetamide
SMILESCC1CC(=O)c2c(OCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)ccc(F)c21
InChIInChI=1S/C19H17FN2O5/c1-11-9-15(23)19-16(8-7-14(20)18(11)19)27-10-17(24)21(2)12-3-5-13(6-4-12)22(25)26/h3-8,11H,9-10H2,1-2H3
InChIKeyXUGKIMCJZLVKBL-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.47
Rot. Bonds5

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

2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-methyl-N-(4-nitrophenyl)acetamide (PubChem CID 42883513) has the molecular formula C19H17FN2O5 and a molecular weight of 372.35 g/mol. Its IUPAC name is 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-methyl-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-methyl-N-(4-nitrophenyl)acetamide
PubChem CID42883513
Molecular FormulaC19H17FN2O5
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-methyl-N-(4-nitrophenyl)acetamide
SMILESCC1CC(=O)c2c(OCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)ccc(F)c21
InChIInChI=1S/C19H17FN2O5/c1-11-9-15(23)19-16(8-7-14(20)18(11)19)27-10-17(24)21(2)12-3-5-13(6-4-12)22(25)26/h3-8,11H,9-10H2,1-2H3
InChIKeyXUGKIMCJZLVKBL-UHFFFAOYSA-N
XLogP3.47
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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-cyclopentyloxy-N-methyl-N-(4-nitrophenyl)acetamide
CID 75415358
2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide
CID 24569426
ethyl 4-[2-(N-methyl-4-nitroanilino)-2-oxoethoxy]benzoate
CID 42156725
5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide
CID 28971596
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-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide
CID 2690888
1-cyclopropyl-2-(2-fluoro-4-nitrophenoxy)ethanone
CID 63903842
2-[cyclopropyl(2-hydroxyethyl)amino]-N-methyl-N-(4-nitrophenyl)acetamide
CID 110899426
2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide
CID 94626264
N-methyl-N-(4-nitrophenyl)octanamide
CID 71368131
5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide
CID 107907357

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-methyl-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-methyl-N-(4-nitrophenyl)acetamide (CID 42883513) is 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-methyl-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-methyl-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-methyl-N-(4-nitrophenyl)acetamide is CC1CC(=O)c2c(OCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)ccc(F)c21.
What is the InChIKey of 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-methyl-N-(4-nitrophenyl)acetamide?
The InChIKey is XUGKIMCJZLVKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O5/c1-11-9-15(23)19-16(8-7-14(20)18(11)19)27-10-17(24)21(2)12-3-5-13(6-4-12)22(25)26/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-methyl-N-(4-nitrophenyl)acetamide?
2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-methyl-N-(4-nitrophenyl)acetamide has a molecular weight of 372.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-methyl-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 42883513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).