4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide

C24H28FN3O2 — CID 118211852

IUPAC4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
SMILESCc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CCN1CCC(CF)C1
InChIInChI=1S/C24H28FN3O2/c1-17-22(14-18-6-8-20(9-7-18)24(29)26-30)21-4-2-3-5-23(21)28(17)13-12-27-11-10-19(15-25)16-27/h2-9,19,30H,10-16H2,1H3,(H,26,29)
InChIKeyRGNIUUGZSFKTCO-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.95
Rot. Bonds7

About 4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide

4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide (PubChem CID 118211852) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
PubChem CID118211852
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
SMILESCc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CCN1CCC(CF)C1
InChIInChI=1S/C24H28FN3O2/c1-17-22(14-18-6-8-20(9-7-18)24(29)26-30)21-4-2-3-5-23(21)28(17)13-12-27-11-10-19(15-25)16-27/h2-9,19,30H,10-16H2,1H3,(H,26,29)
InChIKeyRGNIUUGZSFKTCO-UHFFFAOYSA-N
XLogP3.95
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide
CID 118212164
N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide
CID 118211713
N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide
CID 118211597
4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
CID 118211667
4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
CID 118212106
methyl 4-[[1-[[3-(fluoromethyl)pyrrolidin-1-yl]iodanuidylmethyl]-2-methylindol-3-yl]methyl]benzoate
CID 148910139
methyl 4-[[2-methyl-1-(2-piperazin-1-ylethyl)indol-3-yl]methyl]benzoate;hydrochloride
CID 118211796
methyl 4-[[1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylindol-3-yl]methyl]benzoate
CID 118211888
methyl 4-[[1-[2-[(3S,5R)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzoate
CID 118218990
methyl 4-[[1-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-2-methylindol-3-yl]methyl]benzoate
CID 118212073
methyl 4-[[1-[[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]methyl]-2-methylindol-3-yl]methyl]benzoate
CID 118211927
methyl 4-[[1-[[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-methylindol-3-yl]methyl]benzoate;hydrochloride
CID 118211910

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide (CID 118211852) is 4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide is Cc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CCN1CCC(CF)C1.
What is the InChIKey of 4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide?
The InChIKey is RGNIUUGZSFKTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-17-22(14-18-6-8-20(9-7-18)24(29)26-30)21-4-2-3-5-23(21)28(17)13-12-27-11-10-19(15-25)16-27/h2-9,19,30H,10-16H2,1H3,(H,26,29).
What are the key properties of 4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide?
4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide has a molecular weight of 409.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 118211852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).