N-benzyl-2-(6-fluoroindol-1-yl)acetamide

C17H15FN2O — CID 116619757

IUPACN-benzyl-2-(6-fluoroindol-1-yl)acetamide
SMILESO=C(Cn1ccc2ccc(F)cc21)NCc1ccccc1
InChIInChI=1S/C17H15FN2O/c18-15-7-6-14-8-9-20(16(14)10-15)12-17(21)19-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,19,21)
InChIKeyGCNRRBVEEOKAHL-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.10
Rot. Bonds4

About N-benzyl-2-(6-fluoroindol-1-yl)acetamide

N-benzyl-2-(6-fluoroindol-1-yl)acetamide (PubChem CID 116619757) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-benzyl-2-(6-fluoroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-fluoroindol-1-yl)acetamide
PubChem CID116619757
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-benzyl-2-(6-fluoroindol-1-yl)acetamide
SMILESO=C(Cn1ccc2ccc(F)cc21)NCc1ccccc1
InChIInChI=1S/C17H15FN2O/c18-15-7-6-14-8-9-20(16(14)10-15)12-17(21)19-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,19,21)
InChIKeyGCNRRBVEEOKAHL-UHFFFAOYSA-N
XLogP3.10
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-(6-fluoroindol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 95118338
2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 47001059
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
2-(6-fluoroindol-1-yl)acetic acid
CID 6498201
2-(5-aminoindol-1-yl)-N-benzylacetamide
CID 43342948
N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide
CID 3336665
2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 71708934
N-[(4-fluorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53032202
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110908781
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide
CID 71703907
2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 42655242

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-fluoroindol-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(6-fluoroindol-1-yl)acetamide (CID 116619757) is N-benzyl-2-(6-fluoroindol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(6-fluoroindol-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(6-fluoroindol-1-yl)acetamide is O=C(Cn1ccc2ccc(F)cc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(6-fluoroindol-1-yl)acetamide?
The InChIKey is GCNRRBVEEOKAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-15-7-6-14-8-9-20(16(14)10-15)12-17(21)19-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,19,21).
What are the key properties of N-benzyl-2-(6-fluoroindol-1-yl)acetamide?
N-benzyl-2-(6-fluoroindol-1-yl)acetamide has a molecular weight of 282.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-fluoroindol-1-yl)acetamide is sourced from PubChem (CID 116619757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).