5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide

C15H10ClFN2O — CID 162652710

IUPAC5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2cc(F)c(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C15H10ClFN2O/c16-10-6-9-12(7-11(10)17)19-14(15(18)20)13(9)8-4-2-1-3-5-8/h1-7,19H,(H2,18,20)
InChIKeyKMGLBUOGONHLHQ-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.73
Rot. Bonds2

About 5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide

5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide (PubChem CID 162652710) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide
PubChem CID162652710
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2cc(F)c(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C15H10ClFN2O/c16-10-6-9-12(7-11(10)17)19-14(15(18)20)13(9)8-4-2-1-3-5-8/h1-7,19H,(H2,18,20)
InChIKeyKMGLBUOGONHLHQ-UHFFFAOYSA-N
XLogP3.73
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide (CID 162652710) is 5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide is NC(=O)c1[nH]c2cc(F)c(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is KMGLBUOGONHLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-10-6-9-12(7-11(10)17)19-14(15(18)20)13(9)8-4-2-1-3-5-8/h1-7,19H,(H2,18,20).
What are the key properties of 5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide?
5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 288.71 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 162652710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).