4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide

C24H27F2N3O2 — CID 118211667

IUPAC4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
SMILESCc1c(Cc2ccc(C(=O)NO)cc2)c2cc(F)ccc2n1CCN1CCC(F)CC1
InChIInChI=1S/C24H27F2N3O2/c1-16-21(14-17-2-4-18(5-3-17)24(30)27-31)22-15-20(26)6-7-23(22)29(16)13-12-28-10-8-19(25)9-11-28/h2-7,15,19,31H,8-14H2,1H3,(H,27,30)
InChIKeyMCZWWOQBCBEGDA-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.23
Rot. Bonds6

About 4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide

4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide (PubChem CID 118211667) has the molecular formula C24H27F2N3O2 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
PubChem CID118211667
Molecular FormulaC24H27F2N3O2
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
SMILESCc1c(Cc2ccc(C(=O)NO)cc2)c2cc(F)ccc2n1CCN1CCC(F)CC1
InChIInChI=1S/C24H27F2N3O2/c1-16-21(14-17-2-4-18(5-3-17)24(30)27-31)22-15-20(26)6-7-23(22)29(16)13-12-28-10-8-19(25)9-11-28/h2-7,15,19,31H,8-14H2,1H3,(H,27,30)
InChIKeyMCZWWOQBCBEGDA-UHFFFAOYSA-N
XLogP4.23
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.23
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-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide
CID 118211713
N-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide
CID 118212164
4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
CID 118212106
N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide
CID 118211597
4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide
CID 71526559
methyl 4-[[1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylindol-3-yl]methyl]benzoate
CID 118211888
4-[(7,9-difluoro-2-methyl-3,4-dihydro-1H-pyrimido[1,6-a]indol-5-yl)methyl]-N-hydroxybenzamide
CID 71585548
methyl 4-[[2-methyl-1-(2-piperazin-1-ylethyl)indol-3-yl]methyl]benzoate;hydrochloride
CID 118211796
2-[3-[(4-tert-butylsulfanylphenyl)methyl]-5-fluoro-2-methylindol-1-yl]acetic acid
CID 67159539
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide
CID 155543999
4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid
CID 123930706
methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate
CID 67150812

Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide (CID 118211667) is 4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide is Cc1c(Cc2ccc(C(=O)NO)cc2)c2cc(F)ccc2n1CCN1CCC(F)CC1.
What is the InChIKey of 4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide?
The InChIKey is MCZWWOQBCBEGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O2/c1-16-21(14-17-2-4-18(5-3-17)24(30)27-31)22-15-20(26)6-7-23(22)29(16)13-12-28-10-8-19(25)9-11-28/h2-7,15,19,31H,8-14H2,1H3,(H,27,30).
What are the key properties of 4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide?
4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide has a molecular weight of 427.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 118211667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).