9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide

C24H27FN2O3 — CID 58248668

IUPAC9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide
SMILESO=C(CCCCCCC(=O)NO)Cc1cc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C24H27FN2O3/c25-20-13-11-18(12-14-20)17-27-21(15-19-7-5-6-9-23(19)27)16-22(28)8-3-1-2-4-10-24(29)26-30/h5-7,9,11-15,30H,1-4,8,10,16-17H2,(H,26,29)
InChIKeyRVDPSBAFDJVLRO-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.79
Rot. Bonds11

About 9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide

9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide (PubChem CID 58248668) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide.

Molecular Properties

Compound Name9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide
PubChem CID58248668
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide
SMILESO=C(CCCCCCC(=O)NO)Cc1cc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C24H27FN2O3/c25-20-13-11-18(12-14-20)17-27-21(15-19-7-5-6-9-23(19)27)16-22(28)8-3-1-2-4-10-24(29)26-30/h5-7,9,11-15,30H,1-4,8,10,16-17H2,(H,26,29)
InChIKeyRVDPSBAFDJVLRO-UHFFFAOYSA-N
XLogP4.79
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

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Frequently Asked Questions

What is the IUPAC name of 9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide?
The IUPAC name of 9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide (CID 58248668) is 9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide.
What is the SMILES notation for 9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide?
The canonical SMILES for 9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide is O=C(CCCCCCC(=O)NO)Cc1cc2ccccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide?
The InChIKey is RVDPSBAFDJVLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c25-20-13-11-18(12-14-20)17-27-21(15-19-7-5-6-9-23(19)27)16-22(28)8-3-1-2-4-10-24(29)26-30/h5-7,9,11-15,30H,1-4,8,10,16-17H2,(H,26,29).
What are the key properties of 9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide?
9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide has a molecular weight of 410.49 g/mol, XLogP of 4.79, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide is sourced from PubChem (CID 58248668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).