N-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide

C18H17FN2O — CID 108904452

IUPACN-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)N/C=C/c1ccccc1F
InChIInChI=1S/C18H17FN2O/c1-13-12-15-7-3-5-9-17(15)21(13)18(22)20-11-10-14-6-2-4-8-16(14)19/h2-11,13H,12H2,1H3,(H,20,22)/b11-10+
InChIKeyCSFQDTKTVPNYCL-ZHACJKMWSA-N
MW296.34 g/mol
LogP3.96
Rot. Bonds2

About N-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide

N-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 108904452) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is N-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID108904452
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC NameN-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)N/C=C/c1ccccc1F
InChIInChI=1S/C18H17FN2O/c1-13-12-15-7-3-5-9-17(15)21(13)18(22)20-11-10-14-6-2-4-8-16(14)19/h2-11,13H,12H2,1H3,(H,20,22)/b11-10+
InChIKeyCSFQDTKTVPNYCL-ZHACJKMWSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7970450
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7703224
N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108954785
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43146117
(2S)-N-cyclooctyl-2-methyl-2,3-dihydroindole-1-carboxamide
CID 67191919
N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 61185854
N-(2-ethylphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108991479
N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108985287
(E)-3-(3-chloro-4-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 16547585
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate
CID 18776805

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide (CID 108904452) is N-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide is CC1Cc2ccccc2N1C(=O)N/C=C/c1ccccc1F.
What is the InChIKey of N-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is CSFQDTKTVPNYCL-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-13-12-15-7-3-5-9-17(15)21(13)18(22)20-11-10-14-6-2-4-8-16(14)19/h2-11,13H,12H2,1H3,(H,20,22)/b11-10+.
What are the key properties of N-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
N-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 296.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 108904452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).