5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide

C18H16FN3O — CID 167942706

IUPAC5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(NCc1cccc2cc[nH]c12)N1CCc2cc(F)ccc21
InChIInChI=1S/C18H16FN3O/c19-15-4-5-16-13(10-15)7-9-22(16)18(23)21-11-14-3-1-2-12-6-8-20-17(12)14/h1-6,8,10,20H,7,9,11H2,(H,21,23)
InChIKeyPZDDYHILQNUOJZ-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.58
Rot. Bonds2

About 5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide

5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 167942706) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID167942706
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(NCc1cccc2cc[nH]c12)N1CCc2cc(F)ccc21
InChIInChI=1S/C18H16FN3O/c19-15-4-5-16-13(10-15)7-9-22(16)18(23)21-11-14-3-1-2-12-6-8-20-17(12)14/h1-6,8,10,20H,7,9,11H2,(H,21,23)
InChIKeyPZDDYHILQNUOJZ-UHFFFAOYSA-N
XLogP3.58
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 110747443
5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide
CID 167909360
N-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 167974029
7-fluoro-4-hydroxy-N-(1H-indol-7-ylmethyl)-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
CID 151045285
methyl 5-fluoro-2,3-dihydroindole-1-carboxylate
CID 110713972
N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223792
N-[2-(3-fluorophenyl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 108901276
7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69220426
3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone
CID 110742263
N-cyclopentyl-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747475
5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide
CID 154785629
N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide
CID 60576964

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide (CID 167942706) is 5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide is O=C(NCc1cccc2cc[nH]c12)N1CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is PZDDYHILQNUOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-15-4-5-16-13(10-15)7-9-22(16)18(23)21-11-14-3-1-2-12-6-8-20-17(12)14/h1-6,8,10,20H,7,9,11H2,(H,21,23).
What are the key properties of 5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide?
5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 167942706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).