[(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone

C19H16Cl3N3O — CID 141358957

IUPAC[(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1CC[C@@H](Nc2cc3ccc(Cl)cc3[nH]2)C1
InChIInChI=1S/C19H16Cl3N3O/c20-12-5-4-11-8-17(24-16(11)9-12)23-13-6-7-25(10-13)19(26)18-14(21)2-1-3-15(18)22/h1-5,8-9,13,23-24H,6-7,10H2/t13-/m1/s1
InChIKeyXDNVCLHPDMPMCN-CYBMUJFWSA-N
MW408.72 g/mol
LogP5.45
Rot. Bonds3

About [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone

[(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone (PubChem CID 141358957) has the molecular formula C19H16Cl3N3O and a molecular weight of 408.72 g/mol. Its IUPAC name is [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone
PubChem CID141358957
Molecular FormulaC19H16Cl3N3O
Molecular Weight408.72 g/mol
Exact Mass407.04
IUPAC Name[(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1CC[C@@H](Nc2cc3ccc(Cl)cc3[nH]2)C1
InChIInChI=1S/C19H16Cl3N3O/c20-12-5-4-11-8-17(24-16(11)9-12)23-13-6-7-25(10-13)19(26)18-14(21)2-1-3-15(18)22/h1-5,8-9,13,23-24H,6-7,10H2/t13-/m1/s1
InChIKeyXDNVCLHPDMPMCN-CYBMUJFWSA-N
XLogP5.45
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.72
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone with MolForge

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Related Compounds

[(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 141358964
[(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2-thiophen-3-ylphenyl)methanone
CID 141358963
(6-chloro-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 110888104
(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370762
[(3R)-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 42641165
[(3S)-3-[[(6-chloro-1H-indol-2-yl)amino]methyl]pyrrolidin-1-yl]-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
CID 141253333
(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413676
(2-chloro-6-nitrophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 115300102
(2,6-dichlorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426391
(6-chloro-1H-indol-2-yl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 75447446
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2,6-dichlorophenyl)methanone
CID 66212765

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone?
The IUPAC name of [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone (CID 141358957) is [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone?
The canonical SMILES for [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone is O=C(c1c(Cl)cccc1Cl)N1CC[C@@H](Nc2cc3ccc(Cl)cc3[nH]2)C1.
What is the InChIKey of [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone?
The InChIKey is XDNVCLHPDMPMCN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H16Cl3N3O/c20-12-5-4-11-8-17(24-16(11)9-12)23-13-6-7-25(10-13)19(26)18-14(21)2-1-3-15(18)22/h1-5,8-9,13,23-24H,6-7,10H2/t13-/m1/s1.
What are the key properties of [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone?
[(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone has a molecular weight of 408.72 g/mol, XLogP of 5.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 141358957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).