[(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone

C19H19ClN2O — CID 167516066

IUPAC[(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C([C@H]1C[C@@H](c2ccc(Cl)cc2)CN1)N1Cc2ccccc2C1
InChIInChI=1S/C19H19ClN2O/c20-17-7-5-13(6-8-17)16-9-18(21-10-16)19(23)22-11-14-3-1-2-4-15(14)12-22/h1-8,16,18,21H,9-12H2/t16-,18-/m1/s1
InChIKeyKSRPCTNRBPRPAK-SJLPKXTDSA-N
MW326.83 g/mol
LogP3.33
Rot. Bonds2

About [(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone

[(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 167516066) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is [(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name[(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID167516066
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name[(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C([C@H]1C[C@@H](c2ccc(Cl)cc2)CN1)N1Cc2ccccc2C1
InChIInChI=1S/C19H19ClN2O/c20-17-7-5-13(6-8-17)16-9-18(21-10-16)19(23)22-11-14-3-1-2-4-15(14)12-22/h1-8,16,18,21H,9-12H2/t16-,18-/m1/s1
InChIKeyKSRPCTNRBPRPAK-SJLPKXTDSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 25011732
(2~{s})-~{n}-[[2-(Aminomethyl)-5-Chloranyl-Phenyl]methyl]-1-[(2~{r})-2-Azanyl-3-Cyclohexyl-Propanoyl]pyrrolidine-2-Carboxamide
CID 129012068
(2S)-2-Amino-2-cyclohexyl-1-(1,3-dihydro-2H-isoindol-2-YL)ethanone
CID 17751406
m-Chlorobenzylamide, 2
CID 44237081
(2r)-2-Amino-3-(2,4-Dichlorophenyl)-1-(1,3-Dihydro-2h-Isoindol-2-Yl)propan-1-One
CID 53357987
5-chloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 11681778
m-Chlorobenzylamide, 7
CID 44237086
1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide
CID 165416302
(2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
CID 11677875
3-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573206
(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid 2-aminomethyl-5-chloro-benzylamide
CID 44344125
(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid 2-(2-amino-ethyl)-5-chloro-benzylamide
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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of [(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone (CID 167516066) is [(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for [(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for [(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone is O=C([C@H]1C[C@@H](c2ccc(Cl)cc2)CN1)N1Cc2ccccc2C1.
What is the InChIKey of [(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is KSRPCTNRBPRPAK-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-17-7-5-13(6-8-17)16-9-18(21-10-16)19(23)22-11-14-3-1-2-4-15(14)12-22/h1-8,16,18,21H,9-12H2/t16-,18-/m1/s1.
What are the key properties of [(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone?
[(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 326.83 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 167516066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).