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

C20H18ClF2N3O2 — CID 141358964

IUPAC[(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OC(F)F)N1CC[C@@H](Nc2cc3ccc(Cl)cc3[nH]2)C1
InChIInChI=1S/C20H18ClF2N3O2/c21-13-6-5-12-9-18(25-16(12)10-13)24-14-7-8-26(11-14)19(27)15-3-1-2-4-17(15)28-20(22)23/h1-6,9-10,14,20,24-25H,7-8,11H2/t14-/m1/s1
InChIKeyGWSGYTSCPNZLMK-CQSZACIVSA-N
MW405.83 g/mol
LogP4.75
Rot. Bonds5

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

[(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone (PubChem CID 141358964) has the molecular formula C20H18ClF2N3O2 and a molecular weight of 405.83 g/mol. Its IUPAC name is [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
PubChem CID141358964
Molecular FormulaC20H18ClF2N3O2
Molecular Weight405.83 g/mol
Exact Mass405.11
IUPAC Name[(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OC(F)F)N1CC[C@@H](Nc2cc3ccc(Cl)cc3[nH]2)C1
InChIInChI=1S/C20H18ClF2N3O2/c21-13-6-5-12-9-18(25-16(12)10-13)24-14-7-8-26(11-14)19(27)15-3-1-2-4-17(15)28-20(22)23/h1-6,9-10,14,20,24-25H,7-8,11H2/t14-/m1/s1
InChIKeyGWSGYTSCPNZLMK-CQSZACIVSA-N
XLogP4.75
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dichlorophenyl)methanone
CID 141358957
[(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2-thiophen-3-ylphenyl)methanone
CID 141358963
[(3S)-3-[[(6-chloro-1H-indol-2-yl)amino]methyl]pyrrolidin-1-yl]-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
CID 141253333
[2-(difluoromethoxy)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029867
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(difluoromethoxy)phenyl]methanone
CID 81486182
[5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488965
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
[3-[(7-chloroquinoxalin-2-yl)amino]pyrrolidin-1-yl]-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
CID 74834650
(2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone
CID 55548039
2-(4-chloro-2-fluorophenyl)-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-hydroxyethanone
CID 139008834
N-[1-[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480263
[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577090

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone?
The IUPAC name of [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone (CID 141358964) is [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone is O=C(c1ccccc1OC(F)F)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-(difluoromethoxy)phenyl]methanone?
The InChIKey is GWSGYTSCPNZLMK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18ClF2N3O2/c21-13-6-5-12-9-18(25-16(12)10-13)24-14-7-8-26(11-14)19(27)15-3-1-2-4-17(15)28-20(22)23/h1-6,9-10,14,20,24-25H,7-8,11H2/t14-/m1/s1.
What are the key properties of [(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone?
[(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone has a molecular weight of 405.83 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 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-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 141358964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).