N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide

C18H17FN2O — CID 3632445

IUPACN-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)NCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C18H17FN2O/c1-21-12-14(16-4-2-3-5-17(16)21)10-18(22)20-11-13-6-8-15(19)9-7-13/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyFQYYVBIELGGTEL-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.18
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 3632445) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID3632445
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)NCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C18H17FN2O/c1-21-12-14(16-4-2-3-5-17(16)21)10-18(22)20-11-13-6-8-15(19)9-7-13/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyFQYYVBIELGGTEL-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 110768837
N-(2-aminopropyl)-2-(1-methylindol-3-yl)acetamide
CID 110832860
N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide
CID 90537865
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(1-methylindol-3-yl)acetamide
CID 47082932

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide (CID 3632445) is N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide is Cn1cc(CC(=O)NCc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is FQYYVBIELGGTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-21-12-14(16-4-2-3-5-17(16)21)10-18(22)20-11-13-6-8-15(19)9-7-13/h2-9,12H,10-11H2,1H3,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 296.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 3632445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).