6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-N-phenyl-1H-indole-2-carboxamide

C20H19F2N3O — CID 10522146

IUPAC6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-N-phenyl-1H-indole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1[nH]c2cc(F)ccc2c1[C@@H]1CNCC[C@H]1F
InChIInChI=1S/C20H19F2N3O/c21-12-6-7-14-17(10-12)25-19(18(14)15-11-23-9-8-16(15)22)20(26)24-13-4-2-1-3-5-13/h1-7,10,15-16,23,25H,8-9,11H2,(H,24,26)/t15-,16-/m1/s1
InChIKeyWSWLUEDPQUZWSK-HZPDHXFCSA-N
MW355.39 g/mol
LogP3.97
Rot. Bonds3

About 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-N-phenyl-1H-indole-2-carboxamide

6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-N-phenyl-1H-indole-2-carboxamide (PubChem CID 10522146) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-N-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-N-phenyl-1H-indole-2-carboxamide
PubChem CID10522146
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-N-phenyl-1H-indole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1[nH]c2cc(F)ccc2c1[C@@H]1CNCC[C@H]1F
InChIInChI=1S/C20H19F2N3O/c21-12-6-7-14-17(10-12)25-19(18(14)15-11-23-9-8-16(15)22)20(26)24-13-4-2-1-3-5-13/h1-7,10,15-16,23,25H,8-9,11H2,(H,24,26)/t15-,16-/m1/s1
InChIKeyWSWLUEDPQUZWSK-HZPDHXFCSA-N
XLogP3.97
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-N-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-N-phenyl-1H-indole-2-carboxamide (CID 10522146) is 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-N-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-N-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-N-phenyl-1H-indole-2-carboxamide is O=C(Nc1ccccc1)c1[nH]c2cc(F)ccc2c1[C@@H]1CNCC[C@H]1F.
What is the InChIKey of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-N-phenyl-1H-indole-2-carboxamide?
The InChIKey is WSWLUEDPQUZWSK-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H19F2N3O/c21-12-6-7-14-17(10-12)25-19(18(14)15-11-23-9-8-16(15)22)20(26)24-13-4-2-1-3-5-13/h1-7,10,15-16,23,25H,8-9,11H2,(H,24,26)/t15-,16-/m1/s1.
What are the key properties of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-N-phenyl-1H-indole-2-carboxamide?
6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-N-phenyl-1H-indole-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-N-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 10522146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).