N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide

C15H11F3N2O — CID 43325563

IUPACN-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H11F3N2O/c16-10-2-4-12(14(18)13(10)17)20-15(21)9-1-3-11-8(7-9)5-6-19-11/h1-4,7,19H,5-6H2,(H,20,21)
InChIKeyJWPGVFMHLOBPMM-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.32
Rot. Bonds2

About N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide

N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 43325563) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID43325563
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC NameN-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H11F3N2O/c16-10-2-4-12(14(18)13(10)17)20-15(21)9-1-3-11-8(7-9)5-6-19-11/h1-4,7,19H,5-6H2,(H,20,21)
InChIKeyJWPGVFMHLOBPMM-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-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43438489
2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide
CID 110700473
2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone
CID 116554224
N-(2-chlorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325613
N-(2-bromophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325607
N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide
CID 63252893
N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 62873180
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325639
N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142516
N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43704526
N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104727171
N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104938285

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide (CID 43325563) is N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is JWPGVFMHLOBPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-10-2-4-12(14(18)13(10)17)20-15(21)9-1-3-11-8(7-9)5-6-19-11/h1-4,7,19H,5-6H2,(H,20,21).
What are the key properties of N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide?
N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide 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-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 43325563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).