N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide

C18H17FN2O2 — CID 108954785

IUPACN-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCC1Cc2ccccc2N1C(=O)CC(=O)Nc1ccccc1F
InChIInChI=1S/C18H17FN2O2/c1-12-10-13-6-2-5-9-16(13)21(12)18(23)11-17(22)20-15-8-4-3-7-14(15)19/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyFYJZHBKQPWXYDO-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.13
Rot. Bonds3

About N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide

N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide (PubChem CID 108954785) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
PubChem CID108954785
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCC1Cc2ccccc2N1C(=O)CC(=O)Nc1ccccc1F
InChIInChI=1S/C18H17FN2O2/c1-12-10-13-6-2-5-9-16(13)21(12)18(23)11-17(22)20-15-8-4-3-7-14(15)19/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyFYJZHBKQPWXYDO-UHFFFAOYSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2652898
3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
CID 108956535
N-(3,4-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108956828
N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108955284
[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109336761
N-(2-chlorophenyl)-2-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9434251
3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide
CID 108956522
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate
CID 18776805
3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 134016689
N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108944300
N-(2,6-difluorophenyl)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113181536

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The IUPAC name of N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide (CID 108954785) is N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide is CC1Cc2ccccc2N1C(=O)CC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The InChIKey is FYJZHBKQPWXYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-12-10-13-6-2-5-9-16(13)21(12)18(23)11-17(22)20-15-8-4-3-7-14(15)19/h2-9,12H,10-11H2,1H3,(H,20,22).
What are the key properties of N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide has a molecular weight of 312.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108954785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).