3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide

C21H14Cl2FN3O2 — CID 55965841

IUPAC3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1cccnc1Oc1cccc(F)c1)c1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C21H14Cl2FN3O2/c22-13-6-7-17-16(9-13)18(23)19(27-17)20(28)26-11-12-3-2-8-25-21(12)29-15-5-1-4-14(24)10-15/h1-10,27H,11H2,(H,26,28)
InChIKeyFYOSWOOAUOJJAJ-UHFFFAOYSA-N
MW430.27 g/mol
LogP5.73
Rot. Bonds5

About 3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide

3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide (PubChem CID 55965841) has the molecular formula C21H14Cl2FN3O2 and a molecular weight of 430.27 g/mol. Its IUPAC name is 3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide
PubChem CID55965841
Molecular FormulaC21H14Cl2FN3O2
Molecular Weight430.27 g/mol
Exact Mass429.04
IUPAC Name3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1cccnc1Oc1cccc(F)c1)c1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C21H14Cl2FN3O2/c22-13-6-7-17-16(9-13)18(23)19(27-17)20(28)26-11-12-3-2-8-25-21(12)29-15-5-1-4-14(24)10-15/h1-10,27H,11H2,(H,26,28)
InChIKeyFYOSWOOAUOJJAJ-UHFFFAOYSA-N
XLogP5.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.27
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 60553697
2-[(4-chlorophenyl)methylsulfanyl]-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]acetamide
CID 55692937
N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 60512388
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119847870
2-(2-chloro-4-fluorophenyl)-N-[(2-phenoxy-3-pyridinyl)methyl]acetamide
CID 56755065
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylsulfonylbenzamide
CID 60553727
2-fluoro-N-[1-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55692739
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55862938
4-chloro-3-(dimethylsulfamoyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide
CID 55706412
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119847855
4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide
CID 120595328

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide (CID 55965841) is 3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide is O=C(NCc1cccnc1Oc1cccc(F)c1)c1[nH]c2ccc(Cl)cc2c1Cl.
What is the InChIKey of 3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is FYOSWOOAUOJJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2FN3O2/c22-13-6-7-17-16(9-13)18(23)19(27-17)20(28)26-11-12-3-2-8-25-21(12)29-15-5-1-4-14(24)10-15/h1-10,27H,11H2,(H,26,28).
What are the key properties of 3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide?
3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 430.27 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55965841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).