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

C20H23FN2O2 — CID 100614763

IUPAC3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1F
InChIInChI=1S/C20H23FN2O2/c1-14-12-15-6-3-4-7-18(15)23(14)11-5-10-22-20(24)16-8-9-19(25-2)17(21)13-16/h3-4,6-9,13-14H,5,10-12H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyRFAZGXZDSBFEJL-AWEZNQCLSA-N
MW342.41 g/mol
LogP3.41
Rot. Bonds6

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

3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide (PubChem CID 100614763) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
PubChem CID100614763
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1F
InChIInChI=1S/C20H23FN2O2/c1-14-12-15-6-3-4-7-18(15)23(14)11-5-10-22-20(24)16-8-9-19(25-2)17(21)13-16/h3-4,6-9,13-14H,5,10-12H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyRFAZGXZDSBFEJL-AWEZNQCLSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100514224
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-fluoro-4-methoxybenzamide
CID 37096433
3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide
CID 133231360
3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416969
(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 46819959
2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 125059686
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
1-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-2-oxopyridine-4-carboxamide
CID 95235616
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100517277
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide
CID 125048979
methyl 3-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propylcarbamothioylamino]benzoate
CID 100740469

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide (CID 100614763) is 3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide is COc1ccc(C(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide?
The InChIKey is RFAZGXZDSBFEJL-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14-12-15-6-3-4-7-18(15)23(14)11-5-10-22-20(24)16-8-9-19(25-2)17(21)13-16/h3-4,6-9,13-14H,5,10-12H2,1-2H3,(H,22,24)/t14-/m0/s1.
What are the key properties of 3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide?
3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide has a molecular weight of 342.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide is sourced from PubChem (CID 100614763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).