N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide

C19H19FN2O — CID 113206252

IUPACN-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C19H19FN2O/c1-3-12-6-5-7-13(4-2)18(12)22-19(23)16-11-21-17-10-14(20)8-9-15(16)17/h5-11,21H,3-4H2,1-2H3,(H,22,23)
InChIKeyDYLCESRFDNHHKZ-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.68
Rot. Bonds4

About N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide

N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide (PubChem CID 113206252) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide
PubChem CID113206252
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC NameN-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C19H19FN2O/c1-3-12-6-5-7-13(4-2)18(12)22-19(23)16-11-21-17-10-14(20)8-9-15(16)17/h5-11,21H,3-4H2,1-2H3,(H,22,23)
InChIKeyDYLCESRFDNHHKZ-UHFFFAOYSA-N
XLogP4.68
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-diethylphenyl)-1H-indole-3-carboxamide
CID 113205558
N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206966
N-(2,6-diethylphenyl)-2,4-difluorobenzamide
CID 2495338
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
N-(2-ethoxyphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206274
N-(4-chlorophenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206260
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239
N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206270
N-(2-ethyl-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 115573702
6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206284
N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206264
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate
CID 44596115

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide (CID 113206252) is N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide is CCc1cccc(CC)c1NC(=O)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide?
The InChIKey is DYLCESRFDNHHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-3-12-6-5-7-13(4-2)18(12)22-19(23)16-11-21-17-10-14(20)8-9-15(16)17/h5-11,21H,3-4H2,1-2H3,(H,22,23).
What are the key properties of N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide?
N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide is sourced from PubChem (CID 113206252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).