N-[(1-ethylindol-2-yl)methyl]-4-fluorobenzamide

C18H17FN2O — CID 6498720

IUPACN-[(1-ethylindol-2-yl)methyl]-4-fluorobenzamide
SMILESCCn1c(CNC(=O)c2ccc(F)cc2)cc2ccccc21
InChIInChI=1S/C18H17FN2O/c1-2-21-16(11-14-5-3-4-6-17(14)21)12-20-18(22)13-7-9-15(19)10-8-13/h3-11H,2,12H2,1H3,(H,20,22)
InChIKeyFYAZCSKYQZLVKV-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.73
Rot. Bonds4

About N-[(1-ethylindol-2-yl)methyl]-4-fluorobenzamide

N-[(1-ethylindol-2-yl)methyl]-4-fluorobenzamide (PubChem CID 6498720) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[(1-ethylindol-2-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(1-ethylindol-2-yl)methyl]-4-fluorobenzamide
PubChem CID6498720
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC NameN-[(1-ethylindol-2-yl)methyl]-4-fluorobenzamide
SMILESCCn1c(CNC(=O)c2ccc(F)cc2)cc2ccccc21
InChIInChI=1S/C18H17FN2O/c1-2-21-16(11-14-5-3-4-6-17(14)21)12-20-18(22)13-7-9-15(19)10-8-13/h3-11H,2,12H2,1H3,(H,20,22)
InChIKeyFYAZCSKYQZLVKV-UHFFFAOYSA-N
XLogP3.73
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindol-2-yl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(1-ethylindol-2-yl)methyl]-4-fluorobenzamide (CID 6498720) is N-[(1-ethylindol-2-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(1-ethylindol-2-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(1-ethylindol-2-yl)methyl]-4-fluorobenzamide is CCn1c(CNC(=O)c2ccc(F)cc2)cc2ccccc21.
What is the InChIKey of N-[(1-ethylindol-2-yl)methyl]-4-fluorobenzamide?
The InChIKey is FYAZCSKYQZLVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-2-21-16(11-14-5-3-4-6-17(14)21)12-20-18(22)13-7-9-15(19)10-8-13/h3-11H,2,12H2,1H3,(H,20,22).
What are the key properties of N-[(1-ethylindol-2-yl)methyl]-4-fluorobenzamide?
N-[(1-ethylindol-2-yl)methyl]-4-fluorobenzamide has a molecular weight of 296.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindol-2-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 6498720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).