N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide

C21H18FN3O — CID 25174432

IUPACN-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide
SMILESCC1(C)Cc2ccc(C#N)cc2[C@@H]1NC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C21H18FN3O/c1-21(2)10-13-4-3-12(11-23)7-16(13)19(21)25-20(26)18-9-14-8-15(22)5-6-17(14)24-18/h3-9,19,24H,10H2,1-2H3,(H,25,26)/t19-/m0/s1
InChIKeyAFPRMMOQIBZYAK-IBGZPJMESA-N
MW347.39 g/mol
LogP4.23
Rot. Bonds2

About N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide

N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide (PubChem CID 25174432) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide
PubChem CID25174432
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC NameN-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide
SMILESCC1(C)Cc2ccc(C#N)cc2[C@@H]1NC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C21H18FN3O/c1-21(2)10-13-4-3-12(11-23)7-16(13)19(21)25-20(26)18-9-14-8-15(22)5-6-17(14)24-18/h3-9,19,24H,10H2,1-2H3,(H,25,26)/t19-/m0/s1
InChIKeyAFPRMMOQIBZYAK-IBGZPJMESA-N
XLogP4.23
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide
CID 143751470
N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-5-fluoro-1H-indole-2-carboxamide
CID 174407394
3-hydroxy-2,2-dimethyl-1,3-dihydroindene-5-carbonitrile
CID 67081826
2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide
CID 143751475
2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide
CID 143751482
5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide
CID 126806763
5-fluoro-N-[(1R)-1-propyl-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide
CID 143271417
N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-5-fluoro-1H-indole-2-carboxamide
CID 172664472
N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide
CID 54111455
2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid
CID 11516483
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]propanoic acid
CID 11516790

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide (CID 25174432) is N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide is CC1(C)Cc2ccc(C#N)cc2[C@@H]1NC(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is AFPRMMOQIBZYAK-IBGZPJMESA-N. The full InChI is InChI=1S/C21H18FN3O/c1-21(2)10-13-4-3-12(11-23)7-16(13)19(21)25-20(26)18-9-14-8-15(22)5-6-17(14)24-18/h3-9,19,24H,10H2,1-2H3,(H,25,26)/t19-/m0/s1.
What are the key properties of N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide?
N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 25174432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).