N-[(1-ethyl-5-methylindol-2-yl)methyl]-2-fluorobenzamide

C19H19FN2O — CID 6498756

IUPACN-[(1-ethyl-5-methylindol-2-yl)methyl]-2-fluorobenzamide
SMILESCCn1c(CNC(=O)c2ccccc2F)cc2cc(C)ccc21
InChIInChI=1S/C19H19FN2O/c1-3-22-15(11-14-10-13(2)8-9-18(14)22)12-21-19(23)16-6-4-5-7-17(16)20/h4-11H,3,12H2,1-2H3,(H,21,23)
InChIKeyHOHUGXBUGOAXSG-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.04
Rot. Bonds4

About N-[(1-ethyl-5-methylindol-2-yl)methyl]-2-fluorobenzamide

N-[(1-ethyl-5-methylindol-2-yl)methyl]-2-fluorobenzamide (PubChem CID 6498756) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylindol-2-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylindol-2-yl)methyl]-2-fluorobenzamide
PubChem CID6498756
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC NameN-[(1-ethyl-5-methylindol-2-yl)methyl]-2-fluorobenzamide
SMILESCCn1c(CNC(=O)c2ccccc2F)cc2cc(C)ccc21
InChIInChI=1S/C19H19FN2O/c1-3-22-15(11-14-10-13(2)8-9-18(14)22)12-21-19(23)16-6-4-5-7-17(16)20/h4-11H,3,12H2,1-2H3,(H,21,23)
InChIKeyHOHUGXBUGOAXSG-UHFFFAOYSA-N
XLogP4.04
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylindol-2-yl)methyl]-2-fluorobenzamide?
The IUPAC name of N-[(1-ethyl-5-methylindol-2-yl)methyl]-2-fluorobenzamide (CID 6498756) is N-[(1-ethyl-5-methylindol-2-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[(1-ethyl-5-methylindol-2-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for N-[(1-ethyl-5-methylindol-2-yl)methyl]-2-fluorobenzamide is CCn1c(CNC(=O)c2ccccc2F)cc2cc(C)ccc21.
What is the InChIKey of N-[(1-ethyl-5-methylindol-2-yl)methyl]-2-fluorobenzamide?
The InChIKey is HOHUGXBUGOAXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-3-22-15(11-14-10-13(2)8-9-18(14)22)12-21-19(23)16-6-4-5-7-17(16)20/h4-11H,3,12H2,1-2H3,(H,21,23).
What are the key properties of N-[(1-ethyl-5-methylindol-2-yl)methyl]-2-fluorobenzamide?
N-[(1-ethyl-5-methylindol-2-yl)methyl]-2-fluorobenzamide has a molecular weight of 310.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylindol-2-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 6498756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).