4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide

C15H16F2N2O2 — CID 122413541

IUPAC4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1c[nH]c2ccc(F)c(F)c12
InChIInChI=1S/C15H16F2N2O2/c16-9-5-6-11-13(14(9)17)8(7-18-11)15(21)19-10-3-1-2-4-12(10)20/h5-7,10,12,18,20H,1-4H2,(H,19,21)/t10-,12-/m0/s1
InChIKeyQJQKNBIDFAIDJK-JQWIXIFHSA-N
MW294.30 g/mol
LogP2.48
Rot. Bonds2

About 4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide

4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide (PubChem CID 122413541) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
PubChem CID122413541
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1c[nH]c2ccc(F)c(F)c12
InChIInChI=1S/C15H16F2N2O2/c16-9-5-6-11-13(14(9)17)8(7-18-11)15(21)19-10-3-1-2-4-12(10)20/h5-7,10,12,18,20H,1-4H2,(H,19,21)/t10-,12-/m0/s1
InChIKeyQJQKNBIDFAIDJK-JQWIXIFHSA-N
XLogP2.48
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
CID 107211254
N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide
CID 104927982
2,5-difluoro-N-(2-hydroxycyclopentyl)benzamide
CID 43835745
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
CID 104956750
2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 102739213
2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104956755
3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950714
3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
CID 107953230
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide?
The IUPAC name of 4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide (CID 122413541) is 4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide?
The canonical SMILES for 4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide is O=C(N[C@H]1CCCC[C@@H]1O)c1c[nH]c2ccc(F)c(F)c12.
What is the InChIKey of 4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide?
The InChIKey is QJQKNBIDFAIDJK-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c16-9-5-6-11-13(14(9)17)8(7-18-11)15(21)19-10-3-1-2-4-12(10)20/h5-7,10,12,18,20H,1-4H2,(H,19,21)/t10-,12-/m0/s1.
What are the key properties of 4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide?
4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide has a molecular weight of 294.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 122413541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).