5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide

C17H15FN2O — CID 4910187

IUPAC5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C17H15FN2O/c1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16/h2-11,20H,1H3,(H,19,21)
InChIKeyVXUBAPILIIDSCR-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.80
Rot. Bonds3

About 5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide

5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide (PubChem CID 4910187) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
PubChem CID4910187
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C17H15FN2O/c1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16/h2-11,20H,1H3,(H,19,21)
InChIKeyVXUBAPILIIDSCR-UHFFFAOYSA-N
XLogP3.80
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
CID 25487390
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 123445942
5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 42947302
5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 39982788
N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 46588010
(2S,3S)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194117
5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 123567229
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 46414828
N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
CID 116650098

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide (CID 4910187) is 5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.
What is the InChIKey of 5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide?
The InChIKey is VXUBAPILIIDSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16/h2-11,20H,1H3,(H,19,21).
What are the key properties of 5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide?
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 4910187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).