2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide

C23H24FN3O2 — CID 11574724

IUPAC2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(C2CCN(C(=O)c3ccccc3F)C2)c2ccccc21
InChIInChI=1S/C23H24FN3O2/c1-25(2)22(28)15-27-14-19(17-7-4-6-10-21(17)27)16-11-12-26(13-16)23(29)18-8-3-5-9-20(18)24/h3-10,14,16H,11-13,15H2,1-2H3
InChIKeyJLHBNLNWUWDNMD-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.50
Rot. Bonds4

About 2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide

2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide (PubChem CID 11574724) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide
PubChem CID11574724
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(C2CCN(C(=O)c3ccccc3F)C2)c2ccccc21
InChIInChI=1S/C23H24FN3O2/c1-25(2)22(28)15-27-14-19(17-7-4-6-10-21(17)27)16-11-12-26(13-16)23(29)18-8-3-5-9-20(18)24/h3-10,14,16H,11-13,15H2,1-2H3
InChIKeyJLHBNLNWUWDNMD-UHFFFAOYSA-N
XLogP3.50
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide
CID 69352377
(2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone
CID 11695927
2-[(3S)-1-(3-fluoro-2-methoxybenzoyl)pyrrolidin-3-yl]benzoic acid
CID 95722755
(2-fluorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62972888
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 80667822
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110109938
(2-fluorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418472
(2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 90608763
[(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone
CID 42252423
methyl 2-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]sulfanylacetate
CID 99981976
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide
CID 21370258

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide (CID 11574724) is 2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(C2CCN(C(=O)c3ccccc3F)C2)c2ccccc21.
What is the InChIKey of 2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide?
The InChIKey is JLHBNLNWUWDNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-25(2)22(28)15-27-14-19(17-7-4-6-10-21(17)27)16-11-12-26(13-16)23(29)18-8-3-5-9-20(18)24/h3-10,14,16H,11-13,15H2,1-2H3.
What are the key properties of 2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide?
2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide has a molecular weight of 393.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 11574724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).