4,7-difluoro-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-indole-2-carboxamide

C17H11F2N3O2 — CID 166209295

IUPAC4,7-difluoro-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-indole-2-carboxamide
SMILESO=C1Cc2cc(NC(=O)c3cc4c(F)ccc(F)c4[nH]3)ccc2N1
InChIInChI=1S/C17H11F2N3O2/c18-11-2-3-12(19)16-10(11)7-14(22-16)17(24)20-9-1-4-13-8(5-9)6-15(23)21-13/h1-5,7,22H,6H2,(H,20,24)(H,21,23)
InChIKeyYSUWDMIPIYIWBU-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.19
Rot. Bonds2

About 4,7-difluoro-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-indole-2-carboxamide

4,7-difluoro-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-indole-2-carboxamide (PubChem CID 166209295) has the molecular formula C17H11F2N3O2 and a molecular weight of 327.29 g/mol. Its IUPAC name is 4,7-difluoro-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,7-difluoro-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-indole-2-carboxamide
PubChem CID166209295
Molecular FormulaC17H11F2N3O2
Molecular Weight327.29 g/mol
Exact Mass327.08
IUPAC Name4,7-difluoro-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-indole-2-carboxamide
SMILESO=C1Cc2cc(NC(=O)c3cc4c(F)ccc(F)c4[nH]3)ccc2N1
InChIInChI=1S/C17H11F2N3O2/c18-11-2-3-12(19)16-10(11)7-14(22-16)17(24)20-9-1-4-13-8(5-9)6-15(23)21-13/h1-5,7,22H,6H2,(H,20,24)(H,21,23)
InChIKeyYSUWDMIPIYIWBU-UHFFFAOYSA-N
XLogP3.19
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700475
2-(2-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110777106
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 22690108
2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide
CID 110700473
3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 40805087
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522
2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
CID 115163929
7-amino-N-(2-oxo-1,3-dihydroindol-5-yl)heptanamide
CID 119709201
1-(3,4-difluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166205663
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide;hydrochloride
CID 119281521
N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387

Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-indole-2-carboxamide?
The IUPAC name of 4,7-difluoro-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-indole-2-carboxamide (CID 166209295) is 4,7-difluoro-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4,7-difluoro-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 4,7-difluoro-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-indole-2-carboxamide is O=C1Cc2cc(NC(=O)c3cc4c(F)ccc(F)c4[nH]3)ccc2N1.
What is the InChIKey of 4,7-difluoro-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-indole-2-carboxamide?
The InChIKey is YSUWDMIPIYIWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2/c18-11-2-3-12(19)16-10(11)7-14(22-16)17(24)20-9-1-4-13-8(5-9)6-15(23)21-13/h1-5,7,22H,6H2,(H,20,24)(H,21,23).
What are the key properties of 4,7-difluoro-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-indole-2-carboxamide?
4,7-difluoro-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-indole-2-carboxamide has a molecular weight of 327.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 166209295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).