5,6-dichloro-N-(3,4-difluoro-5-pyridin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide

C20H13Cl2F2N3O — CID 44533174

IUPAC5,6-dichloro-N-(3,4-difluoro-5-pyridin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(-c2cccnc2)c1)N1CCc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C20H13Cl2F2N3O/c21-15-6-11-3-5-27(18(11)9-16(15)22)20(28)26-13-7-14(19(24)17(23)8-13)12-2-1-4-25-10-12/h1-2,4,6-10H,3,5H2,(H,26,28)
InChIKeyMJPOKUDEURYXSY-UHFFFAOYSA-N
MW420.25 g/mol
LogP5.93
Rot. Bonds2

About 5,6-dichloro-N-(3,4-difluoro-5-pyridin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide

5,6-dichloro-N-(3,4-difluoro-5-pyridin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 44533174) has the molecular formula C20H13Cl2F2N3O and a molecular weight of 420.25 g/mol. Its IUPAC name is 5,6-dichloro-N-(3,4-difluoro-5-pyridin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(3,4-difluoro-5-pyridin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide
PubChem CID44533174
Molecular FormulaC20H13Cl2F2N3O
Molecular Weight420.25 g/mol
Exact Mass419.04
IUPAC Name5,6-dichloro-N-(3,4-difluoro-5-pyridin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(-c2cccnc2)c1)N1CCc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C20H13Cl2F2N3O/c21-15-6-11-3-5-27(18(11)9-16(15)22)20(28)26-13-7-14(19(24)17(23)8-13)12-2-1-4-25-10-12/h1-2,4,6-10H,3,5H2,(H,26,28)
InChIKeyMJPOKUDEURYXSY-UHFFFAOYSA-N
XLogP5.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.25
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3,4-difluoro-5-pyridin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5,6-dichloro-N-(3,4-difluoro-5-pyridin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide (CID 44533174) is 5,6-dichloro-N-(3,4-difluoro-5-pyridin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(3,4-difluoro-5-pyridin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(3,4-difluoro-5-pyridin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide is O=C(Nc1cc(F)c(F)c(-c2cccnc2)c1)N1CCc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-N-(3,4-difluoro-5-pyridin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is MJPOKUDEURYXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F2N3O/c21-15-6-11-3-5-27(18(11)9-16(15)22)20(28)26-13-7-14(19(24)17(23)8-13)12-2-1-4-25-10-12/h1-2,4,6-10H,3,5H2,(H,26,28).
What are the key properties of 5,6-dichloro-N-(3,4-difluoro-5-pyridin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide?
5,6-dichloro-N-(3,4-difluoro-5-pyridin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 420.25 g/mol, XLogP of 5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(3,4-difluoro-5-pyridin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 44533174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).