N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide

C15H11F3N2O — CID 63252893

IUPACN-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide
SMILESO=C(Nc1ccc2c(c1)CCN2)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H11F3N2O/c16-11-6-9(7-12(17)14(11)18)15(21)20-10-1-2-13-8(5-10)3-4-19-13/h1-2,5-7,19H,3-4H2,(H,20,21)
InChIKeySYLAMMBRINOLFC-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.32
Rot. Bonds2

About N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide

N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide (PubChem CID 63252893) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide
PubChem CID63252893
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC NameN-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide
SMILESO=C(Nc1ccc2c(c1)CCN2)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H11F3N2O/c16-11-6-9(7-12(17)14(11)18)15(21)20-10-1-2-13-8(5-10)3-4-19-13/h1-2,5-7,19H,3-4H2,(H,20,21)
InChIKeySYLAMMBRINOLFC-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide
CID 63252905
N-(2,3-dihydro-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 79217122
N-(2,3-dihydro-1H-indol-5-yl)-2-fluoro-5-methylbenzamide
CID 63252982
4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide
CID 82771926
N-(2,3-dihydro-1H-indol-5-yl)pyridine-3-carboxamide
CID 63253121
3-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 55169715
N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 63252648
N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325563
2,4-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 63252988
3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64782946
N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 63334695
N-(2,3-dihydro-1H-indol-5-yl)-3-hydroxy-4-methoxybenzamide
CID 79735171

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide (CID 63252893) is N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide is O=C(Nc1ccc2c(c1)CCN2)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide?
The InChIKey is SYLAMMBRINOLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-11-6-9(7-12(17)14(11)18)15(21)20-10-1-2-13-8(5-10)3-4-19-13/h1-2,5-7,19H,3-4H2,(H,20,21).
What are the key properties of N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide?
N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide has a molecular weight of 292.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide is sourced from PubChem (CID 63252893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).