7,7-bis(4-fluoro-1H-indol-3-yl)-N-hydroxyheptanamide

C23H23F2N3O2 — CID 11993692

IUPAC7,7-bis(4-fluoro-1H-indol-3-yl)-N-hydroxyheptanamide
SMILESO=C(CCCCCC(c1c[nH]c2cccc(F)c12)c1c[nH]c2cccc(F)c12)NO
InChIInChI=1S/C23H23F2N3O2/c24-17-7-4-9-19-22(17)15(12-26-19)14(6-2-1-3-11-21(29)28-30)16-13-27-20-10-5-8-18(25)23(16)20/h4-5,7-10,12-14,26-27,30H,1-3,6,11H2,(H,28,29)
InChIKeyZALBCDKLQFUZNN-UHFFFAOYSA-N
MW411.45 g/mol
LogP5.52
Rot. Bonds8

About 7,7-bis(4-fluoro-1H-indol-3-yl)-N-hydroxyheptanamide

7,7-bis(4-fluoro-1H-indol-3-yl)-N-hydroxyheptanamide (PubChem CID 11993692) has the molecular formula C23H23F2N3O2 and a molecular weight of 411.45 g/mol. Its IUPAC name is 7,7-bis(4-fluoro-1H-indol-3-yl)-N-hydroxyheptanamide.

Molecular Properties

Compound Name7,7-bis(4-fluoro-1H-indol-3-yl)-N-hydroxyheptanamide
PubChem CID11993692
Molecular FormulaC23H23F2N3O2
Molecular Weight411.45 g/mol
Exact Mass411.18
IUPAC Name7,7-bis(4-fluoro-1H-indol-3-yl)-N-hydroxyheptanamide
SMILESO=C(CCCCCC(c1c[nH]c2cccc(F)c12)c1c[nH]c2cccc(F)c12)NO
InChIInChI=1S/C23H23F2N3O2/c24-17-7-4-9-19-22(17)15(12-26-19)14(6-2-1-3-11-21(29)28-30)16-13-27-20-10-5-8-18(25)23(16)20/h4-5,7-10,12-14,26-27,30H,1-3,6,11H2,(H,28,29)
InChIKeyZALBCDKLQFUZNN-UHFFFAOYSA-N
XLogP5.52
TPSA80.91 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.45
LogP ≤ 55.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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

3,3'-Diindolylmethane
CID 3071
Ilomastat
CID 132519
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Macimorelin
CID 9804938
Indole-3-acetamide
CID 397
Bisindolylmaleimide VIII
CID 2403
Pf-06840003
CID 23063810
N-(20-Amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-1H-indole-3-acetamide
CID 131007
4-Fluoro-N-(3-(1-methyl-4-piperidinyl)-1H-indol-5-yl)benzamide
CID 5311258
Slv-310
CID 9888211
2-Amino-N-benzyl-3-(1H-indol-3-yl)-propionamide
CID 3143286
Brevianamide F
CID 181567

Frequently Asked Questions

What is the IUPAC name of 7,7-bis(4-fluoro-1H-indol-3-yl)-N-hydroxyheptanamide?
The IUPAC name of 7,7-bis(4-fluoro-1H-indol-3-yl)-N-hydroxyheptanamide (CID 11993692) is 7,7-bis(4-fluoro-1H-indol-3-yl)-N-hydroxyheptanamide.
What is the SMILES notation for 7,7-bis(4-fluoro-1H-indol-3-yl)-N-hydroxyheptanamide?
The canonical SMILES for 7,7-bis(4-fluoro-1H-indol-3-yl)-N-hydroxyheptanamide is O=C(CCCCCC(c1c[nH]c2cccc(F)c12)c1c[nH]c2cccc(F)c12)NO.
What is the InChIKey of 7,7-bis(4-fluoro-1H-indol-3-yl)-N-hydroxyheptanamide?
The InChIKey is ZALBCDKLQFUZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O2/c24-17-7-4-9-19-22(17)15(12-26-19)14(6-2-1-3-11-21(29)28-30)16-13-27-20-10-5-8-18(25)23(16)20/h4-5,7-10,12-14,26-27,30H,1-3,6,11H2,(H,28,29).
What are the key properties of 7,7-bis(4-fluoro-1H-indol-3-yl)-N-hydroxyheptanamide?
7,7-bis(4-fluoro-1H-indol-3-yl)-N-hydroxyheptanamide has a molecular weight of 411.45 g/mol, XLogP of 5.52, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(4-fluoro-1H-indol-3-yl)-N-hydroxyheptanamide is sourced from PubChem (CID 11993692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).