2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide

C18H17FN2O — CID 41109122

IUPAC2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C18H17FN2O/c1-20-18(22)10-14-12-21(17-5-3-2-4-16(14)17)11-13-6-8-15(19)9-7-13/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyQMOKOMGAVPHUDG-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.12
Rot. Bonds4

About 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide

2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide (PubChem CID 41109122) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
PubChem CID41109122
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C18H17FN2O/c1-20-18(22)10-14-12-21(17-5-3-2-4-16(14)17)11-13-6-8-15(19)9-7-13/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyQMOKOMGAVPHUDG-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide
CID 41109005
(2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
CID 124823717
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445
4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide
CID 22522977
N-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide
CID 142763633
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 955251
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
2-(cyanoamino)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanoic acid
CID 87585983
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
CID 41108991
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
CID 22522951

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide (CID 41109122) is 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide is CNC(=O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide?
The InChIKey is QMOKOMGAVPHUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-20-18(22)10-14-12-21(17-5-3-2-4-16(14)17)11-13-6-8-15(19)9-7-13/h2-9,12H,10-11H2,1H3,(H,20,22).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide?
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide has a molecular weight of 296.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide is sourced from PubChem (CID 41109122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).