6-(7-fluoro-2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)-N-hydroxyhexanamide

C20H25FN2O3 — CID 71525651

IUPAC6-(7-fluoro-2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)-N-hydroxyhexanamide
SMILESCC1(C)CC(=O)c2c(n(CCCCCC(=O)NO)c3cc(F)ccc23)C1
InChIInChI=1S/C20H25FN2O3/c1-20(2)11-16-19(17(24)12-20)14-8-7-13(21)10-15(14)23(16)9-5-3-4-6-18(25)22-26/h7-8,10,26H,3-6,9,11-12H2,1-2H3,(H,22,25)
InChIKeyCWFZXCXROMJPCW-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.00
Rot. Bonds6

About 6-(7-fluoro-2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)-N-hydroxyhexanamide

6-(7-fluoro-2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)-N-hydroxyhexanamide (PubChem CID 71525651) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 6-(7-fluoro-2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-(7-fluoro-2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)-N-hydroxyhexanamide
PubChem CID71525651
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name6-(7-fluoro-2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)-N-hydroxyhexanamide
SMILESCC1(C)CC(=O)c2c(n(CCCCCC(=O)NO)c3cc(F)ccc23)C1
InChIInChI=1S/C20H25FN2O3/c1-20(2)11-16-19(17(24)12-20)14-8-7-13(21)10-15(14)23(16)9-5-3-4-6-18(25)22-26/h7-8,10,26H,3-6,9,11-12H2,1-2H3,(H,22,25)
InChIKeyCWFZXCXROMJPCW-UHFFFAOYSA-N
XLogP4.00
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.00
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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Frequently Asked Questions

What is the IUPAC name of 6-(7-fluoro-2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)-N-hydroxyhexanamide?
The IUPAC name of 6-(7-fluoro-2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)-N-hydroxyhexanamide (CID 71525651) is 6-(7-fluoro-2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)-N-hydroxyhexanamide.
What is the SMILES notation for 6-(7-fluoro-2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)-N-hydroxyhexanamide?
The canonical SMILES for 6-(7-fluoro-2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)-N-hydroxyhexanamide is CC1(C)CC(=O)c2c(n(CCCCCC(=O)NO)c3cc(F)ccc23)C1.
What is the InChIKey of 6-(7-fluoro-2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)-N-hydroxyhexanamide?
The InChIKey is CWFZXCXROMJPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-20(2)11-16-19(17(24)12-20)14-8-7-13(21)10-15(14)23(16)9-5-3-4-6-18(25)22-26/h7-8,10,26H,3-6,9,11-12H2,1-2H3,(H,22,25).
What are the key properties of 6-(7-fluoro-2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)-N-hydroxyhexanamide?
6-(7-fluoro-2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)-N-hydroxyhexanamide has a molecular weight of 360.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluoro-2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)-N-hydroxyhexanamide is sourced from PubChem (CID 71525651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).