2-[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylacetamide

C22H17ClFN3O — CID 10644311

IUPAC2-[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylacetamide
SMILESO=C(Cc1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12)Nc1ccncc1
InChIInChI=1S/C22H17ClFN3O/c23-17-3-6-21-20(12-17)16(11-22(28)26-19-7-9-25-10-8-19)14-27(21)13-15-1-4-18(24)5-2-15/h1-10,12,14H,11,13H2,(H,25,26,28)
InChIKeyVDPKQOKIGHGYQM-UHFFFAOYSA-N
MW393.85 g/mol
LogP5.06
Rot. Bonds5

About 2-[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylacetamide

2-[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylacetamide (PubChem CID 10644311) has the molecular formula C22H17ClFN3O and a molecular weight of 393.85 g/mol. Its IUPAC name is 2-[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylacetamide
PubChem CID10644311
Molecular FormulaC22H17ClFN3O
Molecular Weight393.85 g/mol
Exact Mass393.10
IUPAC Name2-[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylacetamide
SMILESO=C(Cc1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12)Nc1ccncc1
InChIInChI=1S/C22H17ClFN3O/c23-17-3-6-21-20(12-17)16(11-22(28)26-19-7-9-25-10-8-19)14-27(21)13-15-1-4-18(24)5-2-15/h1-10,12,14H,11,13H2,(H,25,26,28)
InChIKeyVDPKQOKIGHGYQM-UHFFFAOYSA-N
XLogP5.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.85
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylacetamide (CID 10644311) is 2-[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylacetamide is O=C(Cc1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12)Nc1ccncc1.
What is the InChIKey of 2-[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylacetamide?
The InChIKey is VDPKQOKIGHGYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O/c23-17-3-6-21-20(12-17)16(11-22(28)26-19-7-9-25-10-8-19)14-27(21)13-15-1-4-18(24)5-2-15/h1-10,12,14H,11,13H2,(H,25,26,28).
What are the key properties of 2-[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylacetamide?
2-[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylacetamide has a molecular weight of 393.85 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 10644311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).