4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide

C18H17FN2O2 — CID 113001078

IUPAC4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
SMILESCC1Cc2ccccc2N1C(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2/c1-12-10-14-4-2-3-5-16(14)21(12)17(22)11-20-18(23)13-6-8-15(19)9-7-13/h2-9,12H,10-11H2,1H3,(H,20,23)
InChIKeyQGKOFTOGOWALIF-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.53
Rot. Bonds3

About 4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide

4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide (PubChem CID 113001078) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
PubChem CID113001078
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
SMILESCC1Cc2ccccc2N1C(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2/c1-12-10-14-4-2-3-5-16(14)21(12)17(22)11-20-18(23)13-6-8-15(19)9-7-13/h2-9,12H,10-11H2,1H3,(H,20,23)
InChIKeyQGKOFTOGOWALIF-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001074
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 110698086
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
4-bromo-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
CID 42905957
2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099723
2-(2-chloro-4-fluoroanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099520
N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone
CID 78912909
2-(4-fluorophenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 113197482
2-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 2531901
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 2417277
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 24980657

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide (CID 113001078) is 4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide is CC1Cc2ccccc2N1C(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide?
The InChIKey is QGKOFTOGOWALIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-12-10-14-4-2-3-5-16(14)21(12)17(22)11-20-18(23)13-6-8-15(19)9-7-13/h2-9,12H,10-11H2,1H3,(H,20,23).
What are the key properties of 4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide?
4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide has a molecular weight of 312.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 113001078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).