5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide

C15H19FN2O — CID 91755802

IUPAC5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
SMILESCC(C)N(C(=O)c1c[nH]c2ccc(F)cc12)C(C)C
InChIInChI=1S/C15H19FN2O/c1-9(2)18(10(3)4)15(19)13-8-17-14-6-5-11(16)7-12(13)14/h5-10,17H,1-4H3
InChIKeyYYWKFWIHNRBSGK-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.57
Rot. Bonds3

About 5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide

5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide (PubChem CID 91755802) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
PubChem CID91755802
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
SMILESCC(C)N(C(=O)c1c[nH]c2ccc(F)cc12)C(C)C
InChIInChI=1S/C15H19FN2O/c1-9(2)18(10(3)4)15(19)13-8-17-14-6-5-11(16)7-12(13)14/h5-10,17H,1-4H3
InChIKeyYYWKFWIHNRBSGK-UHFFFAOYSA-N
XLogP3.57
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91757486
(5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24824341
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
1-(5-fluoro-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 53415729
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 82496275
[(2R)-1-(5-fluoro-1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
CID 175354667
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
1-(5-fluoro-1H-indol-3-yl)-3-methylbut-2-en-1-one
CID 53415736
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one
CID 162765535
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 5-fluoro-1H-indole-3-carboxylate
CID 14578818

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of 5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide (CID 91755802) is 5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide is CC(C)N(C(=O)c1c[nH]c2ccc(F)cc12)C(C)C.
What is the InChIKey of 5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide?
The InChIKey is YYWKFWIHNRBSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-9(2)18(10(3)4)15(19)13-8-17-14-6-5-11(16)7-12(13)14/h5-10,17H,1-4H3.
What are the key properties of 5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide?
5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 91755802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).