5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide

C17H14F2N2O — CID 25487390

IUPAC5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(F)c1
InChIInChI=1S/C17H14F2N2O/c1-10(11-3-2-4-13(18)7-11)20-17(22)16-9-12-8-14(19)5-6-15(12)21-16/h2-10,21H,1H3,(H,20,22)/t10-/m1/s1
InChIKeyCHFXTQWKKZLRMD-SNVBAGLBSA-N
MW300.31 g/mol
LogP3.94
Rot. Bonds3

About 5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide

5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 25487390) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID25487390
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(F)c1
InChIInChI=1S/C17H14F2N2O/c1-10(11-3-2-4-13(18)7-11)20-17(22)16-9-12-8-14(19)5-6-15(12)21-16/h2-10,21H,1H3,(H,20,22)/t10-/m1/s1
InChIKeyCHFXTQWKKZLRMD-SNVBAGLBSA-N
XLogP3.94
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 42947302
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 46414828
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-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 46588010
N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 39982788
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 123445942
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 39983681
(2S,3S)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194117

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide (CID 25487390) is 5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide is C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(F)c1.
What is the InChIKey of 5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is CHFXTQWKKZLRMD-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H14F2N2O/c1-10(11-3-2-4-13(18)7-11)20-17(22)16-9-12-8-14(19)5-6-15(12)21-16/h2-10,21H,1H3,(H,20,22)/t10-/m1/s1.
What are the key properties of 5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide?
5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 25487390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).