2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide

C22H18FN3O — CID 67696692

IUPAC2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide
SMILESO=C(Cc1c(Cc2cccc(F)c2)[nH]c2ccccc12)Nc1ccncc1
InChIInChI=1S/C22H18FN3O/c23-16-5-3-4-15(12-16)13-21-19(18-6-1-2-7-20(18)26-21)14-22(27)25-17-8-10-24-11-9-17/h1-12,26H,13-14H2,(H,24,25,27)
InChIKeyPVQCVPIKKJMUCX-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.47
Rot. Bonds5

About 2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide

2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide (PubChem CID 67696692) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide
PubChem CID67696692
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide
SMILESO=C(Cc1c(Cc2cccc(F)c2)[nH]c2ccccc12)Nc1ccncc1
InChIInChI=1S/C22H18FN3O/c23-16-5-3-4-15(12-16)13-21-19(18-6-1-2-7-20(18)26-21)14-22(27)25-17-8-10-24-11-9-17/h1-12,26H,13-14H2,(H,24,25,27)
InChIKeyPVQCVPIKKJMUCX-UHFFFAOYSA-N
XLogP4.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
CID 10826823
N-(9H-carbazol-2-yl)-2-pyridin-4-ylacetamide
CID 91025258
N-pyridin-4-yl-2-(2,4,6-trifluorophenyl)acetamide
CID 110487556
3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide
CID 67696984
N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31956483
N-[(3-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54693788
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
N-(9H-carbazol-3-yl)-2-naphthalen-1-ylacetamide
CID 43917240
propan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate
CID 171483502
N,2-dipyridin-4-ylacetamide
CID 110468100
2-(3-fluorophenyl)-N-(1H-indazol-6-yl)acetamide
CID 36559456
3-[2-(4-ethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 4688274

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide (CID 67696692) is 2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide is O=C(Cc1c(Cc2cccc(F)c2)[nH]c2ccccc12)Nc1ccncc1.
What is the InChIKey of 2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide?
The InChIKey is PVQCVPIKKJMUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c23-16-5-3-4-15(12-16)13-21-19(18-6-1-2-7-20(18)26-21)14-22(27)25-17-8-10-24-11-9-17/h1-12,26H,13-14H2,(H,24,25,27).
What are the key properties of 2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide?
2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide has a molecular weight of 359.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 67696692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).