[5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone

C21H22ClFN2O — CID 57196473

IUPAC[5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone
SMILESCN1CCCC1CC1CN(C(=O)c2ccc(F)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C21H22ClFN2O/c1-24-10-2-3-18(24)11-15-13-25(20-9-6-16(22)12-19(15)20)21(26)14-4-7-17(23)8-5-14/h4-9,12,15,18H,2-3,10-11,13H2,1H3
InChIKeyNMQGRASSRUDESS-UHFFFAOYSA-N
MW372.87 g/mol
LogP4.71
Rot. Bonds3

About [5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone

[5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone (PubChem CID 57196473) has the molecular formula C21H22ClFN2O and a molecular weight of 372.87 g/mol. Its IUPAC name is [5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone
PubChem CID57196473
Molecular FormulaC21H22ClFN2O
Molecular Weight372.87 g/mol
Exact Mass372.14
IUPAC Name[5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone
SMILESCN1CCCC1CC1CN(C(=O)c2ccc(F)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C21H22ClFN2O/c1-24-10-2-3-18(24)11-15-13-25(20-9-6-16(22)12-19(15)20)21(26)14-4-7-17(23)8-5-14/h4-9,12,15,18H,2-3,10-11,13H2,1H3
InChIKeyNMQGRASSRUDESS-UHFFFAOYSA-N
XLogP4.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide
CID 167973633
(3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244473
1-[(3R)-5-chloro-3-(2,2,2-trifluoroethyl)-2,3-dihydroindol-1-yl]-2,2,2-trifluoroethanone
CID 155088871
(3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 178102614
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 110636341
(3R)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 178102406
1-(4-chloro-2-fluorophenyl)-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea
CID 72890023
2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82625253
N-[4-[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 176507654
(4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone
CID 142034272
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 106021758
2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide
CID 167961399

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone (CID 57196473) is [5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone is CN1CCCC1CC1CN(C(=O)c2ccc(F)cc2)c2ccc(Cl)cc21.
What is the InChIKey of [5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is NMQGRASSRUDESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O/c1-24-10-2-3-18(24)11-15-13-25(20-9-6-16(22)12-19(15)20)21(26)14-4-7-17(23)8-5-14/h4-9,12,15,18H,2-3,10-11,13H2,1H3.
What are the key properties of [5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone?
[5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 372.87 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 57196473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).