N-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide

C17H15FN2O — CID 4899521

IUPACN-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H15FN2O/c1-20(11-12-5-3-2-4-6-12)17(21)16-10-13-9-14(18)7-8-15(13)19-16/h2-10,19H,11H2,1H3
InChIKeyOPRRPBAXVZRZDD-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.58
Rot. Bonds3

About N-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide

N-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide (PubChem CID 4899521) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
PubChem CID4899521
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H15FN2O/c1-20(11-12-5-3-2-4-6-12)17(21)16-10-13-9-14(18)7-8-15(13)19-16/h2-10,19H,11H2,1H3
InChIKeyOPRRPBAXVZRZDD-UHFFFAOYSA-N
XLogP3.58
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide (CID 4899521) is N-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide is CN(Cc1ccccc1)C(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide?
The InChIKey is OPRRPBAXVZRZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-20(11-12-5-3-2-4-6-12)17(21)16-10-13-9-14(18)7-8-15(13)19-16/h2-10,19H,11H2,1H3.
What are the key properties of N-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide?
N-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 4899521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).