5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide

C20H19FN2O2 — CID 164637052

IUPAC5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2O)c2cc(F)ccc21
InChIInChI=1S/C20H19FN2O2/c1-23-11-16(15-10-13(21)7-8-17(15)23)20(25)22-19-14-5-3-2-4-12(14)6-9-18(19)24/h2-5,7-8,10-11,18-19,24H,6,9H2,1H3,(H,22,25)/t18-,19+/m0/s1
InChIKeyJIARRPUHLRJLKP-RBUKOAKNSA-N
MW338.38 g/mol
LogP3.10
Rot. Bonds2

About 5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide

5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide (PubChem CID 164637052) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide
PubChem CID164637052
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2O)c2cc(F)ccc21
InChIInChI=1S/C20H19FN2O2/c1-23-11-16(15-10-13(21)7-8-17(15)23)20(25)22-19-14-5-3-2-4-12(14)6-9-18(19)24/h2-5,7-8,10-11,18-19,24H,6,9H2,1H3,(H,22,25)/t18-,19+/m0/s1
InChIKeyJIARRPUHLRJLKP-RBUKOAKNSA-N
XLogP3.10
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 102358584
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133220
N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide
CID 154861063
2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 80711787
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 10293617
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide
CID 14578824
2,3-difluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 62660008
N-(7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluorobenzamide
CID 77258966
2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide
CID 136587051
N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide
CID 138024753

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide?
The IUPAC name of 5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide (CID 164637052) is 5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide is Cn1cc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2O)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide?
The InChIKey is JIARRPUHLRJLKP-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-23-11-16(15-10-13(21)7-8-17(15)23)20(25)22-19-14-5-3-2-4-12(14)6-9-18(19)24/h2-5,7-8,10-11,18-19,24H,6,9H2,1H3,(H,22,25)/t18-,19+/m0/s1.
What are the key properties of 5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide?
5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 164637052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).