1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide

C19H13F2N3O2 — CID 66898337

IUPAC1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide
SMILESNC(=O)c1c(-n2cccc2)n(-c2ccc(O)c(F)c2F)c2ccccc12
InChIInChI=1S/C19H13F2N3O2/c20-16-13(7-8-14(25)17(16)21)24-12-6-2-1-5-11(12)15(18(22)26)19(24)23-9-3-4-10-23/h1-10,25H,(H2,22,26)
InChIKeyKYGHNPMMOOXOOC-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.50
Rot. Bonds3

About 1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide

1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide (PubChem CID 66898337) has the molecular formula C19H13F2N3O2 and a molecular weight of 353.33 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide
PubChem CID66898337
Molecular FormulaC19H13F2N3O2
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide
SMILESNC(=O)c1c(-n2cccc2)n(-c2ccc(O)c(F)c2F)c2ccccc12
InChIInChI=1S/C19H13F2N3O2/c20-16-13(7-8-14(25)17(16)21)24-12-6-2-1-5-11(12)15(18(22)26)19(24)23-9-3-4-10-23/h1-10,25H,(H2,22,26)
InChIKeyKYGHNPMMOOXOOC-UHFFFAOYSA-N
XLogP3.50
TPSA73.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide?
The IUPAC name of 1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide (CID 66898337) is 1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide.
What is the SMILES notation for 1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide?
The canonical SMILES for 1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide is NC(=O)c1c(-n2cccc2)n(-c2ccc(O)c(F)c2F)c2ccccc12.
What is the InChIKey of 1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide?
The InChIKey is KYGHNPMMOOXOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2/c20-16-13(7-8-14(25)17(16)21)24-12-6-2-1-5-11(12)15(18(22)26)19(24)23-9-3-4-10-23/h1-10,25H,(H2,22,26).
What are the key properties of 1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide?
1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide is sourced from PubChem (CID 66898337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).