5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide

C22H15F3N2O — CID 59557997

IUPAC5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cc2cc(F)cc(-c3ccc(F)cc3)c2[nH]1
InChIInChI=1S/C22H15F3N2O/c23-16-6-4-14(5-7-16)19-11-18(25)9-15-10-20(27-21(15)19)22(28)26-12-13-2-1-3-17(24)8-13/h1-11,27H,12H2,(H,26,28)
InChIKeyREBVTGBMAASCOF-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.18
Rot. Bonds4

About 5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide

5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 59557997) has the molecular formula C22H15F3N2O and a molecular weight of 380.37 g/mol. Its IUPAC name is 5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
PubChem CID59557997
Molecular FormulaC22H15F3N2O
Molecular Weight380.37 g/mol
Exact Mass380.11
IUPAC Name5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cc2cc(F)cc(-c3ccc(F)cc3)c2[nH]1
InChIInChI=1S/C22H15F3N2O/c23-16-6-4-14(5-7-16)19-11-18(25)9-15-10-20(27-21(15)19)22(28)26-12-13-2-1-3-17(24)8-13/h1-11,27H,12H2,(H,26,28)
InChIKeyREBVTGBMAASCOF-UHFFFAOYSA-N
XLogP5.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide (CID 59557997) is 5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide is O=C(NCc1cccc(F)c1)c1cc2cc(F)cc(-c3ccc(F)cc3)c2[nH]1.
What is the InChIKey of 5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is REBVTGBMAASCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O/c23-16-6-4-14(5-7-16)19-11-18(25)9-15-10-20(27-21(15)19)22(28)26-12-13-2-1-3-17(24)8-13/h1-11,27H,12H2,(H,26,28).
What are the key properties of 5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide?
5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 59557997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).