N-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide

C18H16FNO4 — CID 122195296

IUPACN-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)C(C(=O)Nc1ccc(F)cc1)C2
InChIInChI=1S/C18H16FNO4/c1-23-15-8-10-7-14(17(21)13(10)9-16(15)24-2)18(22)20-12-5-3-11(19)4-6-12/h3-6,8-9,14H,7H2,1-2H3,(H,20,22)
InChIKeyJTMZFFLMXWEAFD-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.84
Rot. Bonds4

About N-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide

N-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide (PubChem CID 122195296) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide
PubChem CID122195296
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC NameN-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)C(C(=O)Nc1ccc(F)cc1)C2
InChIInChI=1S/C18H16FNO4/c1-23-15-8-10-7-14(17(21)13(10)9-16(15)24-2)18(22)20-12-5-3-11(19)4-6-12/h3-6,8-9,14H,7H2,1-2H3,(H,20,22)
InChIKeyJTMZFFLMXWEAFD-UHFFFAOYSA-N
XLogP2.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethoxy-2-(4-methoxybenzoyl)-2,3-dihydroinden-1-one
CID 45101491
5,6-dimethoxy-2-(3,4,5-trimethoxybenzoyl)-2,3-dihydroinden-1-one
CID 45101493
6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4906421
(3S,5R)-3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-(4-fluorophenyl)piperidine-3,5-dicarboxamide
CID 56855768
(4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 25496338
1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 51148416
(3S,4R)-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 92654105
2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135655490
3-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)propanoic acid
CID 14128308
3-(2-chlorophenyl)-N-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56663140
4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 155926888
5-fluoro-N-(4-methoxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 71066395

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide (CID 122195296) is N-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide is COc1cc2c(cc1OC)C(=O)C(C(=O)Nc1ccc(F)cc1)C2.
What is the InChIKey of N-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide?
The InChIKey is JTMZFFLMXWEAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-23-15-8-10-7-14(17(21)13(10)9-16(15)24-2)18(22)20-12-5-3-11(19)4-6-12/h3-6,8-9,14H,7H2,1-2H3,(H,20,22).
What are the key properties of N-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide?
N-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide is sourced from PubChem (CID 122195296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).